# 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--ipr2 # composition = Co2CuNi # 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 -4.134766375e+02 -4.134766375e+02 1.04 -3.907368507e+02 -3.907368507e+02 1.06 -3.690907401e+02 -3.690907401e+02 1.08 -3.488682675e+02 -3.488682675e+02 1.10 -3.296335716e+02 -3.296335716e+02 1.12 -3.106585538e+02 -3.106585538e+02 1.14 -2.919144231e+02 -2.919144231e+02 1.16 -2.736800875e+02 -2.736800875e+02 1.18 -2.566005255e+02 -2.566005255e+02 1.20 -2.414772504e+02 -2.414772504e+02 1.22 -2.283172433e+02 -2.283172433e+02 1.24 -2.163912760e+02 -2.163912760e+02 1.26 -2.052165988e+02 -2.052165988e+02 1.28 -1.948331422e+02 -1.948331422e+02 1.30 -1.851559900e+02 -1.851559900e+02 1.32 -1.758287509e+02 -1.758287509e+02 1.34 -1.665541383e+02 -1.665541383e+02 1.36 -1.574779679e+02 -1.574779679e+02 1.38 -1.489572291e+02 -1.489572291e+02 1.40 -1.410755073e+02 -1.410755073e+02 1.42 -1.335286938e+02 -1.335286938e+02 1.44 -1.259856573e+02 -1.259856573e+02 1.46 -1.182882262e+02 -1.182882262e+02 1.48 -1.104791147e+02 -1.104791147e+02 1.50 -1.027155068e+02 -1.027155068e+02 1.52 -9.515313292e+01 -9.515313292e+01 1.54 -8.785111374e+01 -8.785111374e+01 1.56 -8.068826231e+01 -8.068826231e+01 1.58 -7.340821280e+01 -7.340821280e+01 1.60 -6.580037297e+01 -6.580037297e+01 1.62 -5.790387911e+01 -5.790387911e+01 1.64 -5.000357395e+01 -5.000357395e+01 1.66 -4.242398917e+01 -4.242398917e+01 1.68 -3.534352588e+01 -3.534352588e+01 1.70 -2.879914441e+01 -2.879914441e+01 1.72 -2.281826009e+01 -2.281826009e+01 1.74 -1.744894813e+01 -1.744894813e+01 1.76 -1.270438812e+01 -1.270438812e+01 1.78 -8.574283504e+00 -8.574283504e+00 1.80 -5.445362522e+00 -5.445362522e+00 1.82 -3.246892186e+00 -3.246892186e+00 1.84 -1.743154038e+00 -1.743154038e+00 1.86 -7.862953506e-01 -7.862953506e-01 1.88 -2.492899325e-01 -2.492899325e-01 1.90 -1.188712676e-02 -1.188712676e-02 1.92 2.820710683e-02 2.820710683e-02 1.94 -5.955445766e-02 -5.955445766e-02 1.96 -2.353827743e-01 -2.353827743e-01 1.98 -4.741892414e-01 -4.741892414e-01 2.00 -7.569760739e-01 -7.569760739e-01 2.02 -1.067839708e+00 -1.067839708e+00 2.04 -1.394072415e+00 -1.394072415e+00 2.06 -1.724996128e+00 -1.724996128e+00 2.08 -2.050817291e+00 -2.050817291e+00 2.10 -2.361785079e+00 -2.361785079e+00 2.12 -2.649079935e+00 -2.649079935e+00 2.14 -2.906188013e+00 -2.906188013e+00 2.16 -3.129446490e+00 -3.129446490e+00 2.18 -3.317333917e+00 -3.317333917e+00 2.20 -3.469214194e+00 -3.469214194e+00 2.22 -3.586872178e+00 -3.586872178e+00 2.24 -3.676551268e+00 -3.676551268e+00 2.26 -3.745397299e+00 -3.745397299e+00 2.28 -3.799686317e+00 -3.799686317e+00 2.30 -3.844827942e+00 -3.844827942e+00 2.32 -3.883613057e+00 -3.883613057e+00 2.34 -3.917682552e+00 -3.917682552e+00 2.36 -3.948745045e+00 -3.948745045e+00 2.38 -3.978129844e+00 -3.978129844e+00 2.40 -4.006108904e+00 -4.006108904e+00 2.42 -4.031888852e+00 -4.031888852e+00 2.44 -4.053818048e+00 -4.053818048e+00 2.46 -4.070088544e+00 -4.070088544e+00 2.48 -4.079466178e+00 -4.079466178e+00 2.50 -4.082169541e+00 -4.082169541e+00 2.52 -4.078258982e+00 -4.078258982e+00 2.54 -4.067584698e+00 -4.067584698e+00 2.56 -4.050094604e+00 -4.050094604e+00 2.58 -4.025910131e+00 -4.025910131e+00 2.60 -3.995503533e+00 -3.995503533e+00 2.62 -3.959509298e+00 -3.959509298e+00 2.64 -3.918661936e+00 -3.918661936e+00 2.66 -3.873692531e+00 -3.873692531e+00 2.68 -3.825110778e+00 -3.825110778e+00 2.70 -3.773279687e+00 -3.773279687e+00 2.72 -3.718496979e+00 -3.718496979e+00 2.74 -3.661044674e+00 -3.661044674e+00 2.76 -3.601280716e+00 -3.601280716e+00 2.78 -3.539618619e+00 -3.539618619e+00 2.80 -3.476489287e+00 -3.476489287e+00 2.82 -3.412240906e+00 -3.412240906e+00 2.84 -3.347069769e+00 -3.347069769e+00 2.86 -3.281043741e+00 -3.281043741e+00 2.88 -3.213918219e+00 -3.213918219e+00 2.90 -3.145427429e+00 -3.145427429e+00 2.92 -3.075534492e+00 -3.075534492e+00 2.94 -3.004117120e+00 -3.004117120e+00 2.96 -2.930869691e+00 -2.930869691e+00 2.98 -2.855614880e+00 -2.855614880e+00 3.00 -2.778394105e+00 -2.778394105e+00 3.02 -2.699488390e+00 -2.699488390e+00 3.04 -2.619470474e+00 -2.619470474e+00 3.06 -2.538983331e+00 -2.538983331e+00 3.08 -2.458637607e+00 -2.458637607e+00 3.10 -2.378966488e+00 -2.378966488e+00 3.12 -2.300519273e+00 -2.300519273e+00 3.14 -2.223676545e+00 -2.223676545e+00 3.16 -2.148915659e+00 -2.148915659e+00 3.18 -2.076909455e+00 -2.076909455e+00 3.20 -2.008171509e+00 -2.008171509e+00 3.22 -1.942910757e+00 -1.942910757e+00 3.24 -1.881066777e+00 -1.881066777e+00 3.26 -1.822331199e+00 -1.822331199e+00 3.28 -1.766182633e+00 -1.766182633e+00 3.30 -1.711959876e+00 -1.711959876e+00 3.32 -1.658966085e+00 -1.658966085e+00 3.34 -1.606585631e+00 -1.606585631e+00 3.36 -1.554429935e+00 -1.554429935e+00 3.38 -1.502395148e+00 -1.502395148e+00 3.40 -1.450628136e+00 -1.450628136e+00 3.42 -1.399496705e+00 -1.399496705e+00 3.44 -1.349458239e+00 -1.349458239e+00 3.46 -1.300956634e+00 -1.300956634e+00 3.48 -1.254349169e+00 -1.254349169e+00 3.50 -1.209864924e+00 -1.209864924e+00 3.52 -1.167595241e+00 -1.167595241e+00 3.54 -1.127509164e+00 -1.127509164e+00 3.56 -1.089484658e+00 -1.089484658e+00 3.58 -1.053376046e+00 -1.053376046e+00 3.60 -1.019066159e+00 -1.019066159e+00 3.62 -9.864326282e-01 -9.864326282e-01 3.64 -9.553487785e-01 -9.553487785e-01 3.66 -9.257100601e-01 -9.257100601e-01 3.68 -8.974165193e-01 -8.974165193e-01 3.70 -8.703626978e-01 -8.703626978e-01 3.72 -8.444380783e-01 -8.444380783e-01 3.74 -8.195278343e-01 -8.195278343e-01 3.76 -7.955130300e-01 -7.955130300e-01 3.78 -7.722707560e-01 -7.722707560e-01 3.80 -7.496741829e-01 -7.496741829e-01 3.82 -7.275922281e-01 -7.275922281e-01 3.84 -7.058892570e-01 -7.058892570e-01 3.86 -6.844329069e-01 -6.844329069e-01 3.88 -6.631589618e-01 -6.631589618e-01 3.90 -6.420380837e-01 -6.420380837e-01 3.92 -6.210389904e-01 -6.210389904e-01 3.94 -6.001314822e-01 -6.001314822e-01 3.96 -5.792907382e-01 -5.792907382e-01 3.98 -5.584930175e-01 -5.584930175e-01 4.00 -5.377155163e-01 -5.377155163e-01 4.02 -5.169367721e-01 -5.169367721e-01 4.04 -4.961369333e-01 -4.961369333e-01 4.06 -4.752981435e-01 -4.752981435e-01 4.08 -4.544050649e-01 -4.544050649e-01 4.10 -4.334449539e-01 -4.334449539e-01 4.12 -4.124081886e-01 -4.124081886e-01 4.14 -3.912788011e-01 -3.912788011e-01 4.16 -3.700291430e-01 -3.700291430e-01 4.18 -3.486343332e-01 -3.486343332e-01 4.20 -3.270808103e-01 -3.270808103e-01 4.22 -3.053973833e-01 -3.053973833e-01 4.24 -2.836303941e-01 -2.836303941e-01 4.26 -2.618316648e-01 -2.618316648e-01 4.28 -2.400581938e-01 -2.400581938e-01 4.30 -2.183727877e-01 -2.183727877e-01 4.32 -1.968411518e-01 -1.968411518e-01 4.34 -1.755119878e-01 -1.755119878e-01 4.36 -1.544613893e-01 -1.544613893e-01 4.38 -1.337927756e-01 -1.337927756e-01 4.40 -1.136192228e-01 -1.136192228e-01 4.42 -9.404854571e-02 -9.404854571e-02 4.44 -7.517281473e-02 -7.517281473e-02 4.46 -5.712869012e-02 -5.712869012e-02 4.48 -4.074466662e-02 -4.074466662e-02 4.50 -2.690006424e-02 -2.690006424e-02 4.52 -1.601993201e-02 -1.601993201e-02 4.54 -8.169046719e-03 -8.169046719e-03 4.56 -3.158681013e-03 -3.158681013e-03 4.58 -6.765161363e-04 -6.765161363e-04 4.60 -3.897200862e-04 -3.897200862e-04 4.62 -2.012282742e-03 -2.012282742e-03 4.64 -5.350409342e-03 -5.350409342e-03 4.66 -1.032477142e-02 -1.032477142e-02 4.68 -1.697037049e-02 -1.697037049e-02 4.70 -2.541562722e-02 -2.541562722e-02 4.72 -3.584202894e-02 -3.584202894e-02 4.74 -4.842959435e-02 -4.842959435e-02 4.76 -6.329206764e-02 -6.329206764e-02 4.78 -8.040202566e-02 -8.040202566e-02 4.80 -9.954380543e-02 -9.954380543e-02 4.82 -1.203002606e-01 -1.203002606e-01 4.84 -1.420493082e-01 -1.420493082e-01 4.86 -1.639960124e-01 -1.639960124e-01 4.88 -1.852321319e-01 -1.852321319e-01 4.90 -2.048090983e-01 -2.048090983e-01 4.92 -2.218142301e-01 -2.218142301e-01 4.94 -2.354369964e-01 -2.354369964e-01 4.96 -2.450188845e-01 -2.450188845e-01 4.98 -2.500682299e-01 -2.500682299e-01 5.00 -2.503005395e-01 -2.503005395e-01 5.02 -2.456420122e-01 -2.456420122e-01 5.04 -2.362048189e-01 -2.362048189e-01 5.06 -2.221792296e-01 -2.221792296e-01 5.08 -2.038759415e-01 -2.038759415e-01 5.10 -1.817877980e-01 -1.817877980e-01 5.12 -1.565870315e-01 -1.565870315e-01 5.14 -1.291105029e-01 -1.291105029e-01 5.16 -1.003339460e-01 -1.003339460e-01 5.18 -7.133354217e-02 -7.133354217e-02 5.20 -4.323240545e-02 -4.323240545e-02 5.22 -1.714460301e-02 -1.714460301e-02 5.24 5.879599918e-03 5.879599918e-03 5.26 2.499621210e-02 2.499621210e-02 5.28 3.965473689e-02 3.965473689e-02 5.30 4.963914842e-02 4.963914842e-02 5.32 5.507760206e-02 5.507760206e-02 5.34 5.641356121e-02 5.641356121e-02 5.36 5.434047600e-02 5.434047600e-02 5.38 4.970758004e-02 4.970758004e-02 5.40 4.341277714e-02 4.341277714e-02 5.42 3.630124871e-02 3.630124871e-02 5.44 2.908716865e-02 2.908716865e-02 5.46 2.230894033e-02 2.230894033e-02 5.48 1.631941390e-02 1.631941390e-02 5.50 1.130368386e-02 1.130368386e-02 5.52 7.313057664e-03 7.313057664e-03 5.54 4.301090114e-03 4.301090114e-03 5.56 2.155107496e-03 2.155107496e-03 5.58 7.314874923e-04 7.314874923e-04 5.60 -1.222983809e-04 -1.222983809e-04 5.62 -5.530967514e-04 -5.530967514e-04 5.64 -6.926565393e-04 -6.926565393e-04 5.66 -6.519821110e-04 -6.519821110e-04 5.68 -5.188847256e-04 -5.188847256e-04 5.70 -3.577490365e-04 -3.577490365e-04 5.72 -2.108025937e-04 -2.108025937e-04 5.74 -1.008344943e-04 -1.008344943e-04 5.76 -3.446676737e-05 -3.446676737e-05 5.78 -5.697659239e-06 -5.697659239e-06 5.80 -3.246617147e-08 -3.246617147e-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