# 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 = AlCoCr2 # 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 -3.704374709e+02 -3.704374709e+02 1.04 -3.496560528e+02 -3.496560528e+02 1.06 -3.300483453e+02 -3.300483453e+02 1.08 -3.116115078e+02 -3.116115078e+02 1.10 -2.941462171e+02 -2.941462171e+02 1.12 -2.773967957e+02 -2.773967957e+02 1.14 -2.613914103e+02 -2.613914103e+02 1.16 -2.462790934e+02 -2.462790934e+02 1.18 -2.323112154e+02 -2.323112154e+02 1.20 -2.197302610e+02 -2.197302610e+02 1.22 -2.084914657e+02 -2.084914657e+02 1.24 -1.983056883e+02 -1.983056883e+02 1.26 -1.889440821e+02 -1.889440821e+02 1.28 -1.803161327e+02 -1.803161327e+02 1.30 -1.722976041e+02 -1.722976041e+02 1.32 -1.646880644e+02 -1.646880644e+02 1.34 -1.572800573e+02 -1.572800573e+02 1.36 -1.499986602e+02 -1.499986602e+02 1.38 -1.428693503e+02 -1.428693503e+02 1.40 -1.358955637e+02 -1.358955637e+02 1.42 -1.289799721e+02 -1.289799721e+02 1.44 -1.220087703e+02 -1.220087703e+02 1.46 -1.148909454e+02 -1.148909454e+02 1.48 -1.076126697e+02 -1.076126697e+02 1.50 -1.002603760e+02 -1.002603760e+02 1.52 -9.295453602e+01 -9.295453602e+01 1.54 -8.579351691e+01 -8.579351691e+01 1.56 -7.881342405e+01 -7.881342405e+01 1.58 -7.200521599e+01 -7.200521599e+01 1.60 -6.535161729e+01 -6.535161729e+01 1.62 -5.887227563e+01 -5.887227563e+01 1.64 -5.265779870e+01 -5.265779870e+01 1.66 -4.681889654e+01 -4.681889654e+01 1.68 -4.141475018e+01 -4.141475018e+01 1.70 -3.645559154e+01 -3.645559154e+01 1.72 -3.194039166e+01 -3.194039166e+01 1.74 -2.786238872e+01 -2.786238872e+01 1.76 -2.420555904e+01 -2.420555904e+01 1.78 -2.092408316e+01 -2.092408316e+01 1.80 -1.795171716e+01 -1.795171716e+01 1.82 -1.522530748e+01 -1.522530748e+01 1.84 -1.270391526e+01 -1.270391526e+01 1.86 -1.042542327e+01 -1.042542327e+01 1.88 -8.467733860e+00 -8.467733860e+00 1.90 -6.791769359e+00 -6.791769359e+00 1.92 -5.482972932e+00 -5.482972932e+00 1.94 -4.517489323e+00 -4.517489323e+00 1.96 -3.825619574e+00 -3.825619574e+00 1.98 -3.353507645e+00 -3.353507645e+00 2.00 -3.056032703e+00 -3.056032703e+00 2.02 -2.894059749e+00 -2.894059749e+00 2.04 -2.834337522e+00 -2.834337522e+00 2.06 -2.848691213e+00 -2.848691213e+00 2.08 -2.913573683e+00 -2.913573683e+00 2.10 -3.009980639e+00 -3.009980639e+00 2.12 -3.123836145e+00 -3.123836145e+00 2.14 -3.245250397e+00 -3.245250397e+00 2.16 -3.367042958e+00 -3.367042958e+00 2.18 -3.483509595e+00 -3.483509595e+00 2.20 -3.588485729e+00 -3.588485729e+00 2.22 -3.677255172e+00 -3.677255172e+00 2.24 -3.748360127e+00 -3.748360127e+00 2.26 -3.801345079e+00 -3.801345079e+00 2.28 -3.839271105e+00 -3.839271105e+00 2.30 -3.867540538e+00 -3.867540538e+00 2.32 -3.890715774e+00 -3.890715774e+00 2.34 -3.912348319e+00 -3.912348319e+00 2.36 -3.933013134e+00 -3.933013134e+00 2.38 -3.952375638e+00 -3.952375638e+00 2.40 -3.970184138e+00 -3.970184138e+00 2.42 -3.986074017e+00 -3.986074017e+00 2.44 -3.999963449e+00 -3.999963449e+00 2.46 -4.011909692e+00 -4.011909692e+00 2.48 -4.021871306e+00 -4.021871306e+00 2.50 -4.029560841e+00 -4.029560841e+00 2.52 -4.034394223e+00 -4.034394223e+00 2.54 -4.035910612e+00 -4.035910612e+00 2.56 -4.033572366e+00 -4.033572366e+00 2.58 -4.026796267e+00 -4.026796267e+00 2.60 -4.015194310e+00 -4.015194310e+00 2.62 -3.998475216e+00 -3.998475216e+00 2.64 -3.976491341e+00 -3.976491341e+00 2.66 -3.949257828e+00 -3.949257828e+00 2.68 -3.916799622e+00 -3.916799622e+00 2.70 -3.879453317e+00 -3.879453317e+00 2.72 -3.837696169e+00 -3.837696169e+00 2.74 -3.791942065e+00 -3.791942065e+00 2.76 -3.742533158e+00 -3.742533158e+00 2.78 -3.689943505e+00 -3.689943505e+00 2.80 -3.634785589e+00 -3.634785589e+00 2.82 -3.577630438e+00 -3.577630438e+00 2.84 -3.518856387e+00 -3.518856387e+00 2.86 -3.458611763e+00 -3.458611763e+00 2.88 -3.396786555e+00 -3.396786555e+00 2.90 -3.333181836e+00 -3.333181836e+00 2.92 -3.267864123e+00 -3.267864123e+00 2.94 -3.200898997e+00 -3.200898997e+00 2.96 -3.132415821e+00 -3.132415821e+00 2.98 -3.062728709e+00 -3.062728709e+00 3.00 -2.992317262e+00 -2.992317262e+00 3.02 -2.921711803e+00 -2.921711803e+00 3.04 -2.851298839e+00 -2.851298839e+00 3.06 -2.781364945e+00 -2.781364945e+00 3.08 -2.712062695e+00 -2.712062695e+00 3.10 -2.643457383e+00 -2.643457383e+00 3.12 -2.575556649e+00 -2.575556649e+00 3.14 -2.508351855e+00 -2.508351855e+00 3.16 -2.441878001e+00 -2.441878001e+00 3.18 -2.376205197e+00 -2.376205197e+00 3.20 -2.311448896e+00 -2.311448896e+00 3.22 -2.247698062e+00 -2.247698062e+00 3.24 -2.184997857e+00 -2.184997857e+00 3.26 -2.123362575e+00 -2.123362575e+00 3.28 -2.062766472e+00 -2.062766472e+00 3.30 -2.003143277e+00 -2.003143277e+00 3.32 -1.944341066e+00 -1.944341066e+00 3.34 -1.886125052e+00 -1.886125052e+00 3.36 -1.828243555e+00 -1.828243555e+00 3.38 -1.770457681e+00 -1.770457681e+00 3.40 -1.712588003e+00 -1.712588003e+00 3.42 -1.654584959e+00 -1.654584959e+00 3.44 -1.596464382e+00 -1.596464382e+00 3.46 -1.538284458e+00 -1.538284458e+00 3.48 -1.480130766e+00 -1.480130766e+00 3.50 -1.422100056e+00 -1.422100056e+00 3.52 -1.364297294e+00 -1.364297294e+00 3.54 -1.306862735e+00 -1.306862735e+00 3.56 -1.249935201e+00 -1.249935201e+00 3.58 -1.193634577e+00 -1.193634577e+00 3.60 -1.138063756e+00 -1.138063756e+00 3.62 -1.083324484e+00 -1.083324484e+00 3.64 -1.029518781e+00 -1.029518781e+00 3.66 -9.767677981e-01 -9.767677981e-01 3.68 -9.251989095e-01 -9.251989095e-01 3.70 -8.749331060e-01 -8.749331060e-01 3.72 -8.260524193e-01 -8.260524193e-01 3.74 -7.785946946e-01 -7.785946946e-01 3.76 -7.325802608e-01 -7.325802608e-01 3.78 -6.880136804e-01 -6.880136804e-01 3.80 -6.448845080e-01 -6.448845080e-01 3.82 -6.031675933e-01 -6.031675933e-01 3.84 -5.628239860e-01 -5.628239860e-01 3.86 -5.238066887e-01 -5.238066887e-01 3.88 -4.861029670e-01 -4.861029670e-01 3.90 -4.497970577e-01 -4.497970577e-01 3.92 -4.159313594e-01 -4.159313594e-01 3.94 -3.856893599e-01 -3.856893599e-01 3.96 -3.596441924e-01 -3.596441924e-01 3.98 -3.379093019e-01 -3.379093019e-01 4.00 -3.202739894e-01 -3.202739894e-01 4.02 -3.063126614e-01 -3.063126614e-01 4.04 -2.954722183e-01 -2.954722183e-01 4.06 -2.871392022e-01 -2.871392022e-01 4.08 -2.806930723e-01 -2.806930723e-01 4.10 -2.755451656e-01 -2.755451656e-01 4.12 -2.711612238e-01 -2.711612238e-01 4.14 -2.670670885e-01 -2.670670885e-01 4.16 -2.628510982e-01 -2.628510982e-01 4.18 -2.581832676e-01 -2.581832676e-01 4.20 -2.528236349e-01 -2.528236349e-01 4.22 -2.466515423e-01 -2.466515423e-01 4.24 -2.398274258e-01 -2.398274258e-01 4.26 -2.331715103e-01 -2.331715103e-01 4.28 -2.274568051e-01 -2.274568051e-01 4.30 -2.232353027e-01 -2.232353027e-01 4.32 -2.208509595e-01 -2.208509595e-01 4.34 -2.204166829e-01 -2.204166829e-01 4.36 -2.216619159e-01 -2.216619159e-01 4.38 -2.240700626e-01 -2.240700626e-01 4.40 -2.270354758e-01 -2.270354758e-01 4.42 -2.298944176e-01 -2.298944176e-01 4.44 -2.319600022e-01 -2.319600022e-01 4.46 -2.325642927e-01 -2.325642927e-01 4.48 -2.311023863e-01 -2.311023863e-01 4.50 -2.270777622e-01 -2.270777622e-01 4.52 -2.201527193e-01 -2.201527193e-01 4.54 -2.102769459e-01 -2.102769459e-01 4.56 -1.977236933e-01 -1.977236933e-01 4.58 -1.829578562e-01 -1.829578562e-01 4.60 -1.665666781e-01 -1.665666781e-01 4.62 -1.492012144e-01 -1.492012144e-01 4.64 -1.315116151e-01 -1.315116151e-01 4.66 -1.140891198e-01 -1.140891198e-01 4.68 -9.741721730e-02 -9.741721730e-02 4.70 -8.184322500e-02 -8.184322500e-02 4.72 -6.757017655e-02 -6.757017655e-02 4.74 -5.466395344e-02 -5.466395344e-02 4.76 -4.307300772e-02 -4.307300772e-02 4.78 -3.264760593e-02 -3.264760593e-02 4.80 -2.318006203e-02 -2.318006203e-02 4.82 -1.446087602e-02 -1.446087602e-02 4.84 -6.293520320e-03 -6.293520320e-03 4.86 1.486991351e-03 1.486991351e-03 4.88 8.999864603e-03 8.999864603e-03 4.90 1.631220465e-02 1.631220465e-02 4.92 2.343962165e-02 2.343962165e-02 4.94 3.035324074e-02 3.035324074e-02 4.96 3.698902432e-02 3.698902432e-02 4.98 4.326085275e-02 4.326085275e-02 5.00 4.907278578e-02 4.907278578e-02 5.02 5.432514738e-02 5.432514738e-02 5.04 5.891131980e-02 5.891131980e-02 5.06 6.275380497e-02 6.275380497e-02 5.08 6.580107297e-02 6.580107297e-02 5.10 6.801726973e-02 6.801726973e-02 5.12 6.938322943e-02 6.938322943e-02 5.14 6.989721850e-02 6.989721850e-02 5.16 6.957538713e-02 6.957538713e-02 5.18 6.845203218e-02 6.845203218e-02 5.20 6.657916387e-02 6.657916387e-02 5.22 6.402766513e-02 6.402766513e-02 5.24 6.089116080e-02 6.089116080e-02 5.26 5.727068635e-02 5.727068635e-02 5.28 5.326890016e-02 5.326890016e-02 5.30 4.898873990e-02 4.898873990e-02 5.32 4.453175706e-02 4.453175706e-02 5.34 3.999638285e-02 3.999638285e-02 5.36 3.547599777e-02 3.547599777e-02 5.38 3.105698779e-02 3.105698779e-02 5.40 2.681676606e-02 2.681676606e-02 5.42 2.282188303e-02 2.282188303e-02 5.44 1.912657983e-02 1.912657983e-02 5.46 1.577174896e-02 1.577174896e-02 5.48 1.278479073e-02 1.278479073e-02 5.50 1.018021272e-02 1.018021272e-02 5.52 7.961085837e-03 7.961085837e-03 5.54 6.114724376e-03 6.114724376e-03 5.56 4.606773089e-03 4.606773089e-03 5.58 3.397429975e-03 3.397429975e-03 5.60 2.445604431e-03 2.445604431e-03 5.62 1.711446587e-03 1.711446587e-03 5.64 1.157661423e-03 1.157661423e-03 5.66 7.505293797e-04 7.505293797e-04 5.68 4.605001625e-04 4.605001625e-04 5.70 2.621341239e-04 2.621341239e-04 5.72 1.338581429e-04 1.338581429e-04 5.74 5.761559471e-05 5.761559471e-05 5.76 1.831224354e-05 1.831224354e-05 5.78 2.901340368e-06 2.901340368e-06 5.80 4.490593406e-09 4.490593406e-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