# 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 = Al2CoCr # 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 -3.122400925e+02 -3.122400925e+02 1.04 -2.956428554e+02 -2.956428554e+02 1.06 -2.802636515e+02 -2.802636515e+02 1.08 -2.659398545e+02 -2.659398545e+02 1.10 -2.524025750e+02 -2.524025750e+02 1.12 -2.393030259e+02 -2.393030259e+02 1.14 -2.264865646e+02 -2.264865646e+02 1.16 -2.139759457e+02 -2.139759457e+02 1.18 -2.019827892e+02 -2.019827892e+02 1.20 -1.908450483e+02 -1.908450483e+02 1.22 -1.807309661e+02 -1.807309661e+02 1.24 -1.715136878e+02 -1.715136878e+02 1.26 -1.630678652e+02 -1.630678652e+02 1.28 -1.552943857e+02 -1.552943857e+02 1.30 -1.481008928e+02 -1.481008928e+02 1.32 -1.413629557e+02 -1.413629557e+02 1.34 -1.349304770e+02 -1.349304770e+02 1.36 -1.287385933e+02 -1.287385933e+02 1.38 -1.227802368e+02 -1.227802368e+02 1.40 -1.170094013e+02 -1.170094013e+02 1.42 -1.113327810e+02 -1.113327810e+02 1.44 -1.056675786e+02 -1.056675786e+02 1.46 -9.991934370e+01 -9.991934370e+01 1.48 -9.404199468e+01 -9.404199468e+01 1.50 -8.810762141e+01 -8.810762141e+01 1.52 -8.223389148e+01 -8.223389148e+01 1.54 -7.652002709e+01 -7.652002709e+01 1.56 -7.101971596e+01 -7.101971596e+01 1.58 -6.575049955e+01 -6.575049955e+01 1.60 -6.071546207e+01 -6.071546207e+01 1.62 -5.590277433e+01 -5.590277433e+01 1.64 -5.133731581e+01 -5.133731581e+01 1.66 -4.704822353e+01 -4.704822353e+01 1.68 -4.303819183e+01 -4.303819183e+01 1.70 -3.931264120e+01 -3.931264120e+01 1.72 -3.587868387e+01 -3.587868387e+01 1.74 -3.272684061e+01 -3.272684061e+01 1.76 -2.984314339e+01 -2.984314339e+01 1.78 -2.719448603e+01 -2.719448603e+01 1.80 -2.473493692e+01 -2.473493692e+01 1.82 -2.242145366e+01 -2.242145366e+01 1.84 -2.022450682e+01 -2.022450682e+01 1.86 -1.814280961e+01 -1.814280961e+01 1.88 -1.618237021e+01 -1.618237021e+01 1.90 -1.433696614e+01 -1.433696614e+01 1.92 -1.258934986e+01 -1.258934986e+01 1.94 -1.092461615e+01 -1.092461615e+01 1.96 -9.341490585e+00 -9.341490585e+00 1.98 -7.844276147e+00 -7.844276147e+00 2.00 -6.463123775e+00 -6.463123775e+00 2.02 -5.384028902e+00 -5.384028902e+00 2.04 -4.610694156e+00 -4.610694156e+00 2.06 -4.073761209e+00 -4.073761209e+00 2.08 -3.713852788e+00 -3.713852788e+00 2.10 -3.483610727e+00 -3.483610727e+00 2.12 -3.347670924e+00 -3.347670924e+00 2.14 -3.280867204e+00 -3.280867204e+00 2.16 -3.264744271e+00 -3.264744271e+00 2.18 -3.284688899e+00 -3.284688899e+00 2.20 -3.327276045e+00 -3.327276045e+00 2.22 -3.381181000e+00 -3.381181000e+00 2.24 -3.438855166e+00 -3.438855166e+00 2.26 -3.494220745e+00 -3.494220745e+00 2.28 -3.543032786e+00 -3.543032786e+00 2.30 -3.582989292e+00 -3.582989292e+00 2.32 -3.614715755e+00 -3.614715755e+00 2.34 -3.640506801e+00 -3.640506801e+00 2.36 -3.662887568e+00 -3.662887568e+00 2.38 -3.684168837e+00 -3.684168837e+00 2.40 -3.705621104e+00 -3.705621104e+00 2.42 -3.727742232e+00 -3.727742232e+00 2.44 -3.751273566e+00 -3.751273566e+00 2.46 -3.776594916e+00 -3.776594916e+00 2.48 -3.803799587e+00 -3.803799587e+00 2.50 -3.832454555e+00 -3.832454555e+00 2.52 -3.860884403e+00 -3.860884403e+00 2.54 -3.886922894e+00 -3.886922894e+00 2.56 -3.908575268e+00 -3.908575268e+00 2.58 -3.924159780e+00 -3.924159780e+00 2.60 -3.932735044e+00 -3.932735044e+00 2.62 -3.934297156e+00 -3.934297156e+00 2.64 -3.929161786e+00 -3.929161786e+00 2.66 -3.917799641e+00 -3.917799641e+00 2.68 -3.900607689e+00 -3.900607689e+00 2.70 -3.877923020e+00 -3.877923020e+00 2.72 -3.850042599e+00 -3.850042599e+00 2.74 -3.817215532e+00 -3.817215532e+00 2.76 -3.779925799e+00 -3.779925799e+00 2.78 -3.738989810e+00 -3.738989810e+00 2.80 -3.695317386e+00 -3.695317386e+00 2.82 -3.649690534e+00 -3.649690534e+00 2.84 -3.602550697e+00 -3.602550697e+00 2.86 -3.554020116e+00 -3.554020116e+00 2.88 -3.503890832e+00 -3.503890832e+00 2.90 -3.451833888e+00 -3.451833888e+00 2.92 -3.397730309e+00 -3.397730309e+00 2.94 -3.341542663e+00 -3.341542663e+00 2.96 -3.283358887e+00 -3.283358887e+00 2.98 -3.223470107e+00 -3.223470107e+00 3.00 -3.162359142e+00 -3.162359142e+00 3.02 -3.100643485e+00 -3.100643485e+00 3.04 -3.038982123e+00 -3.038982123e+00 3.06 -2.977851523e+00 -2.977851523e+00 3.08 -2.917495727e+00 -2.917495727e+00 3.10 -2.858013857e+00 -2.858013857e+00 3.12 -2.799486127e+00 -2.799486127e+00 3.14 -2.741992936e+00 -2.741992936e+00 3.16 -2.685608239e+00 -2.685608239e+00 3.18 -2.630389548e+00 -2.630389548e+00 3.20 -2.576425772e+00 -2.576425772e+00 3.22 -2.523750193e+00 -2.523750193e+00 3.24 -2.472311603e+00 -2.472311603e+00 3.26 -2.422035834e+00 -2.422035834e+00 3.28 -2.372773588e+00 -2.372773588e+00 3.30 -2.324188123e+00 -2.324188123e+00 3.32 -2.275920596e+00 -2.275920596e+00 3.34 -2.227625597e+00 -2.227625597e+00 3.36 -2.178976845e+00 -2.178976845e+00 3.38 -2.129682604e+00 -2.129682604e+00 3.40 -2.079520856e+00 -2.079520856e+00 3.42 -2.028382180e+00 -2.028382180e+00 3.44 -1.976227962e+00 -1.976227962e+00 3.46 -1.923072473e+00 -1.923072473e+00 3.48 -1.868969514e+00 -1.868969514e+00 3.50 -1.813999573e+00 -1.813999573e+00 3.52 -1.758265554e+00 -1.758265554e+00 3.54 -1.701918063e+00 -1.701918063e+00 3.56 -1.645114990e+00 -1.645114990e+00 3.58 -1.587986177e+00 -1.587986177e+00 3.60 -1.530655804e+00 -1.530655804e+00 3.62 -1.473250375e+00 -1.473250375e+00 3.64 -1.415915061e+00 -1.415915061e+00 3.66 -1.358827607e+00 -1.358827607e+00 3.68 -1.302171708e+00 -1.302171708e+00 3.70 -1.246127121e+00 -1.246127121e+00 3.72 -1.190814850e+00 -1.190814850e+00 3.74 -1.136288764e+00 -1.136288764e+00 3.76 -1.082582317e+00 -1.082582317e+00 3.78 -1.029713172e+00 -1.029713172e+00 3.80 -9.776851090e-01 -9.776851090e-01 3.82 -9.264897977e-01 -9.264897977e-01 3.84 -8.761087640e-01 -8.761087640e-01 3.86 -8.265196252e-01 -8.265196252e-01 3.88 -7.777330564e-01 -7.777330564e-01 3.90 -7.297789471e-01 -7.297789471e-01 3.92 -6.826883533e-01 -6.826883533e-01 3.94 -6.364935040e-01 -6.364935040e-01 3.96 -5.912275784e-01 -5.912275784e-01 3.98 -5.469233984e-01 -5.469233984e-01 4.00 -5.036134324e-01 -5.036134324e-01 4.02 -4.613296774e-01 -4.613296774e-01 4.04 -4.201043320e-01 -4.201043320e-01 4.06 -3.799688119e-01 -3.799688119e-01 4.08 -3.409610582e-01 -3.409610582e-01 4.10 -3.031547369e-01 -3.031547369e-01 4.12 -2.666242654e-01 -2.666242654e-01 4.14 -2.314140725e-01 -2.314140725e-01 4.16 -1.975472215e-01 -1.975472215e-01 4.18 -1.650433341e-01 -1.650433341e-01 4.20 -1.359130005e-01 -1.359130005e-01 4.22 -1.162236447e-01 -1.162236447e-01 4.24 -1.102754137e-01 -1.102754137e-01 4.26 -1.197362767e-01 -1.197362767e-01 4.28 -1.426571933e-01 -1.426571933e-01 4.30 -1.756299097e-01 -1.756299097e-01 4.32 -2.152873520e-01 -2.152873520e-01 4.34 -2.584841653e-01 -2.584841653e-01 4.36 -3.024482296e-01 -3.024482296e-01 4.38 -3.448581927e-01 -3.448581927e-01 4.40 -3.838549794e-01 -3.838549794e-01 4.42 -4.180497248e-01 -4.180497248e-01 4.44 -4.465053752e-01 -4.465053752e-01 4.46 -4.687014210e-01 -4.687014210e-01 4.48 -4.844824384e-01 -4.844824384e-01 4.50 -4.939997165e-01 -4.939997165e-01 4.52 -4.976221707e-01 -4.976221707e-01 4.54 -4.956916255e-01 -4.956916255e-01 4.56 -4.885570111e-01 -4.885570111e-01 4.58 -4.766467395e-01 -4.766467395e-01 4.60 -4.604488652e-01 -4.604488652e-01 4.62 -4.404947836e-01 -4.404947836e-01 4.64 -4.173433203e-01 -4.173433203e-01 4.66 -3.915663719e-01 -3.915663719e-01 4.68 -3.637338734e-01 -3.637338734e-01 4.70 -3.344023992e-01 -3.344023992e-01 4.72 -3.041090509e-01 -3.041090509e-01 4.74 -2.733580236e-01 -2.733580236e-01 4.76 -2.426144793e-01 -2.426144793e-01 4.78 -2.122898745e-01 -2.122898745e-01 4.80 -1.827452288e-01 -1.827452288e-01 4.82 -1.543068046e-01 -1.543068046e-01 4.84 -1.272557264e-01 -1.272557264e-01 4.86 -1.018256163e-01 -1.018256163e-01 4.88 -7.819828018e-02 -7.819828018e-02 4.90 -5.650318424e-02 -5.650318424e-02 4.92 -3.681599554e-02 -3.681599554e-02 4.94 -1.916187811e-02 -1.916187811e-02 4.96 -3.518456481e-03 -3.518456481e-03 4.98 1.017798007e-02 1.017798007e-02 5.00 2.202585842e-02 2.202585842e-02 5.02 3.216234929e-02 3.216234929e-02 5.04 4.077491479e-02 4.077491479e-02 5.06 4.802395296e-02 4.802395296e-02 5.08 5.403712127e-02 5.403712127e-02 5.10 5.891902944e-02 5.891902944e-02 5.12 6.275157922e-02 6.275157922e-02 5.14 6.559516479e-02 6.559516479e-02 5.16 6.749092939e-02 6.749092939e-02 5.18 6.846428526e-02 6.846428526e-02 5.20 6.852989750e-02 6.852989750e-02 5.22 6.769948553e-02 6.769948553e-02 5.24 6.599555055e-02 6.599555055e-02 5.26 6.345757914e-02 6.345757914e-02 5.28 6.014800288e-02 6.014800288e-02 5.30 5.615692541e-02 5.615692541e-02 5.32 5.160327302e-02 5.160327302e-02 5.34 4.663187594e-02 4.663187594e-02 5.36 4.140629616e-02 4.140629616e-02 5.38 3.609825239e-02 3.609825239e-02 5.40 3.087520428e-02 3.087520428e-02 5.42 2.588825432e-02 2.588825432e-02 5.44 2.126209540e-02 2.126209540e-02 5.46 1.708907332e-02 1.708907332e-02 5.48 1.342711282e-02 1.342711282e-02 5.50 1.030199009e-02 1.030199009e-02 5.52 7.711945693e-03 7.711945693e-03 5.54 5.628872393e-03 5.628872393e-03 5.56 3.998566778e-03 3.998566778e-03 5.58 2.757584607e-03 2.757584607e-03 5.60 1.840339287e-03 1.840339287e-03 5.62 1.183654928e-03 1.183654928e-03 5.64 7.296334080e-04 7.296334080e-04 5.66 4.277886142e-04 4.277886142e-04 5.68 2.359922319e-04 2.359922319e-04 5.70 1.204272863e-04 1.204272863e-04 5.72 5.521740754e-05 5.521740754e-05 5.74 2.152994477e-05 2.152994477e-05 5.76 6.301670766e-06 6.301670766e-06 5.78 9.469963645e-07 9.469963645e-07 5.80 -1.094427024e-08 -1.094427024e-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