# 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 = AlCrNi2 # 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 -3.361453479e+02 -3.361453479e+02 1.04 -3.173533573e+02 -3.173533573e+02 1.06 -2.998067209e+02 -2.998067209e+02 1.08 -2.834027779e+02 -2.834027779e+02 1.10 -2.679742190e+02 -2.679742190e+02 1.12 -2.533617584e+02 -2.533617584e+02 1.14 -2.395283967e+02 -2.395283967e+02 1.16 -2.264806701e+02 -2.264806701e+02 1.18 -2.142947128e+02 -2.142947128e+02 1.20 -2.030673054e+02 -2.030673054e+02 1.22 -1.927977408e+02 -1.927977408e+02 1.24 -1.833983829e+02 -1.833983829e+02 1.26 -1.747828316e+02 -1.747828316e+02 1.28 -1.668538792e+02 -1.668538792e+02 1.30 -1.594563475e+02 -1.594563475e+02 1.32 -1.524190285e+02 -1.524190285e+02 1.34 -1.455884533e+02 -1.455884533e+02 1.36 -1.388694403e+02 -1.388694403e+02 1.38 -1.322205332e+02 -1.322205332e+02 1.40 -1.256168671e+02 -1.256168671e+02 1.42 -1.190080875e+02 -1.190080875e+02 1.44 -1.123433589e+02 -1.123433589e+02 1.46 -1.055726908e+02 -1.055726908e+02 1.48 -9.869066278e+01 -9.869066278e+01 1.50 -9.176228397e+01 -9.176228397e+01 1.52 -8.487795611e+01 -8.487795611e+01 1.54 -7.810965113e+01 -7.810965113e+01 1.56 -7.150930897e+01 -7.150930897e+01 1.58 -6.512122152e+01 -6.512122152e+01 1.60 -5.897970196e+01 -5.897970196e+01 1.62 -5.310524248e+01 -5.310524248e+01 1.64 -4.753832330e+01 -4.753832330e+01 1.66 -4.233254405e+01 -4.233254405e+01 1.68 -3.751528828e+01 -3.751528828e+01 1.70 -3.308786159e+01 -3.308786159e+01 1.72 -2.904174818e+01 -2.904174818e+01 1.74 -2.535585845e+01 -2.535585845e+01 1.76 -2.200723000e+01 -2.200723000e+01 1.78 -1.896440807e+01 -1.896440807e+01 1.80 -1.618740924e+01 -1.618740924e+01 1.82 -1.363641741e+01 -1.363641741e+01 1.84 -1.128166032e+01 -1.128166032e+01 1.86 -9.189007746e+00 -9.189007746e+00 1.88 -7.364584763e+00 -7.364584763e+00 1.90 -5.851283128e+00 -5.851283128e+00 1.92 -4.745707355e+00 -4.745707355e+00 1.94 -3.964364522e+00 -3.964364522e+00 1.96 -3.435768113e+00 -3.435768113e+00 1.98 -3.099778547e+00 -3.099778547e+00 2.00 -2.908598474e+00 -2.908598474e+00 2.02 -2.825318165e+00 -2.825318165e+00 2.04 -2.821662519e+00 -2.821662519e+00 2.06 -2.875327383e+00 -2.875327383e+00 2.08 -2.968228762e+00 -2.968228762e+00 2.10 -3.085682967e+00 -3.085682967e+00 2.12 -3.216341337e+00 -3.216341337e+00 2.14 -3.351095750e+00 -3.351095750e+00 2.16 -3.482179803e+00 -3.482179803e+00 2.18 -3.602881710e+00 -3.602881710e+00 2.20 -3.706125813e+00 -3.706125813e+00 2.22 -3.786931220e+00 -3.786931220e+00 2.24 -3.846374672e+00 -3.846374672e+00 2.26 -3.890785682e+00 -3.890785682e+00 2.28 -3.925510558e+00 -3.925510558e+00 2.30 -3.954473987e+00 -3.954473987e+00 2.32 -3.979936473e+00 -3.979936473e+00 2.34 -4.001631831e+00 -4.001631831e+00 2.36 -4.019414003e+00 -4.019414003e+00 2.38 -4.033678217e+00 -4.033678217e+00 2.40 -4.045092441e+00 -4.045092441e+00 2.42 -4.054310875e+00 -4.054310875e+00 2.44 -4.061678695e+00 -4.061678695e+00 2.46 -4.067378751e+00 -4.067378751e+00 2.48 -4.071641391e+00 -4.071641391e+00 2.50 -4.074576525e+00 -4.074576525e+00 2.52 -4.075405675e+00 -4.075405675e+00 2.54 -4.073108925e+00 -4.073108925e+00 2.56 -4.066804477e+00 -4.066804477e+00 2.58 -4.055617769e+00 -4.055617769e+00 2.60 -4.038975175e+00 -4.038975175e+00 2.62 -4.016884710e+00 -4.016884710e+00 2.64 -3.989596689e+00 -3.989596689e+00 2.66 -3.957470967e+00 -3.957470967e+00 2.68 -3.920791481e+00 -3.920791481e+00 2.70 -3.879834623e+00 -3.879834623e+00 2.72 -3.834922685e+00 -3.834922685e+00 2.74 -3.786352407e+00 -3.786352407e+00 2.76 -3.734363357e+00 -3.734363357e+00 2.78 -3.679368567e+00 -3.679368567e+00 2.80 -3.622031592e+00 -3.622031592e+00 2.82 -3.563044481e+00 -3.563044481e+00 2.84 -3.502944142e+00 -3.502944142e+00 2.86 -3.442000497e+00 -3.442000497e+00 2.88 -3.380132554e+00 -3.380132554e+00 2.90 -3.317087051e+00 -3.317087051e+00 2.92 -3.252915143e+00 -3.252915143e+00 2.94 -3.187606915e+00 -3.187606915e+00 2.96 -3.121173974e+00 -3.121173974e+00 2.98 -3.053824440e+00 -3.053824440e+00 3.00 -2.985965784e+00 -2.985965784e+00 3.02 -2.918162752e+00 -2.918162752e+00 3.04 -2.851054934e+00 -2.851054934e+00 3.06 -2.784883368e+00 -2.784883368e+00 3.08 -2.719301010e+00 -2.719301010e+00 3.10 -2.653811351e+00 -2.653811351e+00 3.12 -2.588025734e+00 -2.588025734e+00 3.14 -2.521687210e+00 -2.521687210e+00 3.16 -2.454657133e+00 -2.454657133e+00 3.18 -2.386902761e+00 -2.386902761e+00 3.20 -2.318480888e+00 -2.318480888e+00 3.22 -2.249455560e+00 -2.249455560e+00 3.24 -2.179888033e+00 -2.179888033e+00 3.26 -2.109858116e+00 -2.109858116e+00 3.28 -2.039547088e+00 -2.039547088e+00 3.30 -1.969178035e+00 -1.969178035e+00 3.32 -1.898905720e+00 -1.898905720e+00 3.34 -1.828821572e+00 -1.828821572e+00 3.36 -1.759054410e+00 -1.759054410e+00 3.38 -1.689706766e+00 -1.689706766e+00 3.40 -1.620858879e+00 -1.620858879e+00 3.42 -1.552670576e+00 -1.552670576e+00 3.44 -1.485298634e+00 -1.485298634e+00 3.46 -1.418884659e+00 -1.418884659e+00 3.48 -1.353559166e+00 -1.353559166e+00 3.50 -1.289441295e+00 -1.289441295e+00 3.52 -1.226649386e+00 -1.226649386e+00 3.54 -1.165338916e+00 -1.165338916e+00 3.56 -1.105663237e+00 -1.105663237e+00 3.58 -1.047729515e+00 -1.047729515e+00 3.60 -9.915766512e-01 -9.915766512e-01 3.62 -9.372228975e-01 -9.372228975e-01 3.64 -8.846784367e-01 -8.846784367e-01 3.66 -8.339777391e-01 -8.339777391e-01 3.68 -7.851564346e-01 -7.851564346e-01 3.70 -7.382389255e-01 -7.382389255e-01 3.72 -6.932221220e-01 -6.932221220e-01 3.74 -6.500775789e-01 -6.500775789e-01 3.76 -6.087707297e-01 -6.087707297e-01 3.78 -5.692626333e-01 -5.692626333e-01 3.80 -5.315109156e-01 -5.315109156e-01 3.82 -4.954700102e-01 -4.954700102e-01 3.84 -4.610917173e-01 -4.610917173e-01 3.86 -4.283289013e-01 -4.283289013e-01 3.88 -3.971627196e-01 -3.971627196e-01 3.90 -3.675868523e-01 -3.675868523e-01 3.92 -3.395919270e-01 -3.395919270e-01 3.94 -3.131583184e-01 -3.131583184e-01 3.96 -2.882093951e-01 -2.882093951e-01 3.98 -2.646739857e-01 -2.646739857e-01 4.00 -2.425180145e-01 -2.425180145e-01 4.02 -2.217273473e-01 -2.217273473e-01 4.04 -2.022955403e-01 -2.022955403e-01 4.06 -1.842145431e-01 -1.842145431e-01 4.08 -1.674710403e-01 -1.674710403e-01 4.10 -1.520443688e-01 -1.520443688e-01 4.12 -1.379021597e-01 -1.379021597e-01 4.14 -1.249862601e-01 -1.249862601e-01 4.16 -1.132057298e-01 -1.132057298e-01 4.18 -1.024578269e-01 -1.024578269e-01 4.20 -9.263898408e-02 -9.263898408e-02 4.22 -8.367644738e-02 -8.367644738e-02 4.24 -7.535360788e-02 -7.535360788e-02 4.26 -6.595126157e-02 -6.595126157e-02 4.28 -5.352469825e-02 -5.352469825e-02 4.30 -3.693147651e-02 -3.693147651e-02 4.32 -1.568150910e-02 -1.568150910e-02 4.34 1.020626539e-02 1.020626539e-02 4.36 4.032199454e-02 4.032199454e-02 4.38 7.397446641e-02 7.397446641e-02 4.40 1.102928804e-01 1.102928804e-01 4.42 1.483045054e-01 1.483045054e-01 4.44 1.869974997e-01 1.869974997e-01 4.46 2.253728464e-01 2.253728464e-01 4.48 2.624845558e-01 2.624845558e-01 4.50 2.974696818e-01 2.974696818e-01 4.52 3.295709190e-01 3.295709190e-01 4.54 3.581509127e-01 3.581509127e-01 4.56 3.827359729e-01 3.827359729e-01 4.58 4.030003189e-01 4.030003189e-01 4.60 4.187516675e-01 4.187516675e-01 4.62 4.299240047e-01 4.299240047e-01 4.64 4.365635646e-01 4.365635646e-01 4.66 4.388174760e-01 4.388174760e-01 4.68 4.369180522e-01 4.369180522e-01 4.70 4.311689054e-01 4.311689054e-01 4.72 4.219248626e-01 4.219248626e-01 4.74 4.095821490e-01 4.095821490e-01 4.76 3.945632233e-01 3.945632233e-01 4.78 3.773208938e-01 3.773208938e-01 4.80 3.583171718e-01 3.583171718e-01 4.82 3.379827982e-01 3.379827982e-01 4.84 3.167290756e-01 3.167290756e-01 4.86 2.949440856e-01 2.949440856e-01 4.88 2.729856368e-01 2.729856368e-01 4.90 2.511775880e-01 2.511775880e-01 4.92 2.298052765e-01 2.298052765e-01 4.94 2.091135149e-01 2.091135149e-01 4.96 1.893055914e-01 1.893055914e-01 4.98 1.705432617e-01 1.705432617e-01 5.00 1.529477603e-01 1.529477603e-01 5.02 1.365870170e-01 1.365870170e-01 5.04 1.214432560e-01 1.214432560e-01 5.06 1.074884605e-01 1.074884605e-01 5.08 9.469875765e-02 9.469875765e-02 5.10 8.304750456e-02 8.304750456e-02 5.12 7.250504016e-02 7.250504016e-02 5.14 6.303790350e-02 6.303790350e-02 5.16 5.460823452e-02 5.460823452e-02 5.18 4.717289493e-02 4.717289493e-02 5.20 4.068242782e-02 4.068242782e-02 5.22 3.508000553e-02 3.508000553e-02 5.24 3.030003345e-02 3.030003345e-02 5.26 2.627035559e-02 2.627035559e-02 5.28 2.291277260e-02 2.291277260e-02 5.30 2.014325281e-02 2.014325281e-02 5.32 1.787275339e-02 1.787275339e-02 5.34 1.600977996e-02 1.600977996e-02 5.36 1.446353149e-02 1.446353149e-02 5.38 1.314812525e-02 1.314812525e-02 5.40 1.198692087e-02 1.198692087e-02 5.42 1.091668894e-02 1.091668894e-02 5.44 9.890569342e-03 9.890569342e-03 5.46 8.879768786e-03 8.879768786e-03 5.48 7.873646809e-03 7.873646809e-03 5.50 6.878227685e-03 6.878227685e-03 5.52 5.913518817e-03 5.913518817e-03 5.54 5.000616416e-03 5.000616416e-03 5.56 4.145942650e-03 4.145942650e-03 5.58 3.357301462e-03 3.357301462e-03 5.60 2.643836623e-03 2.643836623e-03 5.62 2.014012257e-03 2.014012257e-03 5.64 1.474033495e-03 1.474033495e-03 5.66 1.026861586e-03 1.026861586e-03 5.68 6.717922809e-04 6.717922809e-04 5.70 4.042816231e-04 4.042816231e-04 5.72 2.163259612e-04 2.163259612e-04 5.74 9.668949294e-05 9.668949294e-05 5.76 3.154077225e-05 3.154077225e-05 5.78 5.072027321e-06 5.072027321e-06 5.80 1.946574620e-08 1.946574620e-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