# 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--ipr1 # composition = Cr2CuNi # 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 nan nan 1.04 -3.531190995e+02 -3.531190995e+02 1.06 -3.327850933e+02 -3.327850933e+02 1.08 -3.138817630e+02 -3.138817630e+02 1.10 -2.962131043e+02 -2.962131043e+02 1.12 -2.792514869e+02 -2.792514869e+02 1.14 -2.628547275e+02 -2.628547275e+02 1.16 -2.473281314e+02 -2.473281314e+02 1.18 -2.328455974e+02 -2.328455974e+02 1.20 -2.199013157e+02 -2.199013157e+02 1.22 -2.085251872e+02 -2.085251872e+02 1.24 -1.981190185e+02 -1.981190185e+02 1.26 -1.881370857e+02 -1.881370857e+02 1.28 -1.787732171e+02 -1.787732171e+02 1.30 -1.697596544e+02 -1.697596544e+02 1.32 -1.609794402e+02 -1.609794402e+02 1.34 -1.522505758e+02 -1.522505758e+02 1.36 -1.437724920e+02 -1.437724920e+02 1.38 -1.356476253e+02 -1.356476253e+02 1.40 -1.280871001e+02 -1.280871001e+02 1.42 -1.207780578e+02 -1.207780578e+02 1.44 -1.134835248e+02 -1.134835248e+02 1.46 -1.062181190e+02 -1.062181190e+02 1.48 -9.885949696e+01 -9.885949696e+01 1.50 -9.154116257e+01 -9.154116257e+01 1.52 -8.435629147e+01 -8.435629147e+01 1.54 -7.731727672e+01 -7.731727672e+01 1.56 -7.034910354e+01 -7.034910354e+01 1.58 -6.334305971e+01 -6.334305971e+01 1.60 -5.617931255e+01 -5.617931255e+01 1.62 -4.885755879e+01 -4.885755879e+01 1.64 -4.161023432e+01 -4.161023432e+01 1.66 -3.475402262e+01 -3.475402262e+01 1.68 -2.834679095e+01 -2.834679095e+01 1.70 -2.245807276e+01 -2.245807276e+01 1.72 -1.710470310e+01 -1.710470310e+01 1.74 -1.235327267e+01 -1.235327267e+01 1.76 -8.357871869e+00 -8.357871869e+00 1.78 -5.440851815e+00 -5.440851815e+00 1.80 -3.491008282e+00 -3.491008282e+00 1.82 -2.201641415e+00 -2.201641415e+00 1.84 -1.379336445e+00 -1.379336445e+00 1.86 -8.950672009e-01 -8.950672009e-01 1.88 -6.613695528e-01 -6.613695528e-01 1.90 -6.030566272e-01 -6.030566272e-01 1.92 -6.590168054e-01 -6.590168054e-01 1.94 -7.889503787e-01 -7.889503787e-01 1.96 -9.703797060e-01 -9.703797060e-01 1.98 -1.189672383e+00 -1.189672383e+00 2.00 -1.436300575e+00 -1.436300940e+00 2.02 -1.700261674e+00 -1.700261674e+00 2.04 -1.974015450e+00 -1.974015450e+00 2.06 -2.249697316e+00 -2.249697316e+00 2.08 -2.519742692e+00 -2.519742692e+00 2.10 -2.776558821e+00 -2.776558821e+00 2.12 -3.013262859e+00 -3.013262859e+00 2.14 -3.216675002e+00 -3.216675002e+00 2.16 -3.392523565e+00 -3.392523565e+00 2.18 -3.535059615e+00 -3.535059615e+00 2.20 -3.643678330e+00 -3.643678330e+00 2.22 -3.721060709e+00 -3.721060709e+00 2.24 -3.775651063e+00 -3.775651063e+00 2.26 -3.816679017e+00 -3.816679017e+00 2.28 -3.851317777e+00 -3.851317777e+00 2.30 -3.883724642e+00 -3.883724642e+00 2.32 -3.914651296e+00 -3.914651296e+00 2.34 -3.937045392e+00 -3.937045392e+00 2.36 -3.960319030e+00 -3.960319030e+00 2.38 -3.981099111e+00 -3.981099111e+00 2.40 -3.990772145e+00 -3.990772145e+00 2.42 -3.998386790e+00 -3.998386790e+00 2.44 -3.999118281e+00 -3.999118281e+00 2.46 -3.993777496e+00 -3.993777496e+00 2.48 -3.983651993e+00 -3.983651993e+00 2.50 -3.969930059e+00 -3.969930059e+00 2.52 -3.952843052e+00 -3.952843052e+00 2.54 -3.932199027e+00 -3.932199027e+00 2.56 -3.907920732e+00 -3.907920732e+00 2.58 -3.880034401e+00 -3.880034401e+00 2.60 -3.847675404e+00 -3.847675404e+00 2.62 -3.812658031e+00 -3.812658031e+00 2.64 -3.774847544e+00 -3.774847544e+00 2.66 -3.734665250e+00 -3.734665250e+00 2.68 -3.692345909e+00 -3.692345909e+00 2.70 -3.648015629e+00 -3.648015629e+00 2.72 -3.601770348e+00 -3.601770348e+00 2.74 -3.553659779e+00 -3.553659779e+00 2.76 -3.503692533e+00 -3.503692533e+00 2.78 -3.451939322e+00 -3.451939322e+00 2.80 -3.398550184e+00 -3.398550184e+00 2.82 -3.343634386e+00 -3.343634386e+00 2.84 -3.287219787e+00 -3.287219787e+00 2.86 -3.229292234e+00 -3.229292234e+00 2.88 -3.169808467e+00 -3.169808467e+00 2.90 -3.108501145e+00 -3.108501145e+00 2.92 -3.045118392e+00 -3.045118392e+00 2.94 -2.979279762e+00 -2.979279762e+00 2.96 -2.910641191e+00 -2.910641191e+00 2.98 -2.838946707e+00 -2.838946707e+00 3.00 -2.763682497e+00 -2.763682496e+00 3.02 -2.684914659e+00 -2.684914659e+00 3.04 -2.603906185e+00 -2.603906185e+00 3.06 -2.520803681e+00 -2.520803681e+00 3.08 -2.436299145e+00 -2.436299145e+00 3.10 -2.350975744e+00 -2.350975744e+00 3.12 -2.265653133e+00 -2.265653133e+00 3.14 -2.180938036e+00 -2.180938036e+00 3.16 -2.098662483e+00 -2.098662483e+00 3.18 -2.019250461e+00 -2.019250461e+00 3.20 -1.943165820e+00 -1.943165820e+00 3.22 -1.870566896e+00 -1.870566896e+00 3.24 -1.801402057e+00 -1.801402057e+00 3.26 -1.735365786e+00 -1.735365786e+00 3.28 -1.671948958e+00 -1.671948958e+00 3.30 -1.610519454e+00 -1.610519454e+00 3.32 -1.550421597e+00 -1.550421597e+00 3.34 -1.491079432e+00 -1.491079432e+00 3.36 -1.432128834e+00 -1.432128834e+00 3.38 -1.373460662e+00 -1.373460662e+00 3.40 -1.315187753e+00 -1.315187753e+00 3.42 -1.257637323e+00 -1.257637323e+00 3.44 -1.201211307e+00 -1.201211307e+00 3.46 -1.146295328e+00 -1.146295328e+00 3.48 -1.093200750e+00 -1.093200750e+00 3.50 -1.042133175e+00 -1.042133175e+00 3.52 -9.931873422e-01 -9.931873422e-01 3.54 -9.463610217e-01 -9.463610217e-01 3.56 -9.015813929e-01 -9.015813929e-01 3.58 -8.587378045e-01 -8.587378045e-01 3.60 -8.177045823e-01 -8.177045823e-01 3.62 -7.783468787e-01 -7.783468787e-01 3.64 -7.405279363e-01 -7.405279363e-01 3.66 -7.041406307e-01 -7.041406307e-01 3.68 -6.700810172e-01 -6.700810172e-01 3.70 -6.368717329e-01 -6.368717329e-01 3.72 -6.050103599e-01 -6.050103599e-01 3.74 -5.744264557e-01 -5.744264557e-01 3.76 -5.450478129e-01 -5.450478129e-01 3.78 -5.168006950e-01 -5.168006950e-01 3.80 -4.896100973e-01 -4.896100973e-01 3.82 -4.633998815e-01 -4.633998815e-01 3.84 -4.380930712e-01 -4.380930712e-01 3.86 -4.136182918e-01 -4.136182918e-01 3.88 -3.899576259e-01 -3.899576259e-01 3.90 -3.671180391e-01 -3.671180391e-01 3.92 -3.451026156e-01 -3.451026156e-01 3.94 -3.239069816e-01 -3.239069816e-01 3.96 -3.035174629e-01 -3.035174629e-01 3.98 -2.839173142e-01 -2.839173142e-01 4.00 -2.645385190e-01 -2.645385190e-01 4.02 -2.422212724e-01 -2.422212724e-01 4.04 -2.136429479e-01 -2.136429479e-01 4.06 -1.762663290e-01 -1.762663290e-01 4.08 -1.283231935e-01 -1.283231935e-01 4.10 -6.879074856e-02 -6.879074856e-02 4.12 2.641024518e-03 2.641024518e-03 4.14 8.562140967e-02 8.562140967e-02 4.16 1.791954697e-01 1.791954697e-01 4.18 2.818421295e-01 2.818421295e-01 4.20 3.915255505e-01 3.915255505e-01 4.22 5.056820961e-01 5.056820961e-01 4.24 6.213732785e-01 6.213732785e-01 4.26 7.354311480e-01 7.354311480e-01 4.28 8.445602857e-01 8.445602857e-01 4.30 9.454470670e-01 9.454470670e-01 4.32 1.034878474e+00 1.034878474e+00 4.34 1.109869139e+00 1.109869139e+00 4.36 1.167795459e+00 1.167795459e+00 4.38 1.206526912e+00 1.206526912e+00 4.40 1.224562735e+00 1.224562735e+00 4.42 1.221196733e+00 1.221196733e+00 4.44 1.196649759e+00 1.196649759e+00 4.46 1.152048461e+00 1.152048461e+00 4.48 1.089441820e+00 1.089441820e+00 4.50 1.011756807e+00 1.011756807e+00 4.52 9.227215137e-01 9.227215137e-01 4.54 8.269602471e-01 8.269602471e-01 4.56 7.294682838e-01 7.294682838e-01 4.58 6.349267574e-01 6.349267574e-01 4.60 5.473173390e-01 5.473173390e-01 4.62 4.696444101e-01 4.696444101e-01 4.64 4.037799463e-01 4.037799463e-01 4.66 3.504566878e-01 3.504566878e-01 4.68 3.094094081e-01 3.094094081e-01 4.70 2.796216527e-01 2.796216527e-01 4.72 2.596168953e-01 2.596168953e-01 4.74 2.477267706e-01 2.477267706e-01 4.76 2.422937330e-01 2.422937330e-01 4.78 2.418031352e-01 2.418031352e-01 4.80 2.449262928e-01 2.449262928e-01 4.82 2.504992325e-01 2.504992325e-01 4.84 2.575152518e-01 2.575152518e-01 4.86 2.651080925e-01 2.651080925e-01 4.88 2.725384565e-01 2.725384565e-01 4.90 2.791900471e-01 2.791900471e-01 4.92 2.845665605e-01 2.845665605e-01 4.94 2.882894495e-01 2.882894495e-01 4.96 2.900906226e-01 2.900906226e-01 4.98 2.898009333e-01 2.898009333e-01 5.00 2.873349761e-01 2.873349761e-01 5.02 2.826758983e-01 2.826758983e-01 5.04 2.758600519e-01 2.758600519e-01 5.06 2.669676217e-01 2.669676217e-01 5.08 2.561201711e-01 2.561201711e-01 5.10 2.434844030e-01 2.434844030e-01 5.12 2.292742246e-01 2.292742246e-01 5.14 2.137497052e-01 2.137497052e-01 5.16 1.972142437e-01 1.972142437e-01 5.18 1.800074181e-01 1.800074181e-01 5.20 1.614752311e-01 1.614752311e-01 5.22 1.438762900e-01 1.438762900e-01 5.24 1.267646445e-01 1.267646445e-01 5.26 1.104916214e-01 1.104916214e-01 5.28 9.533608911e-02 9.533608911e-02 5.30 8.149083674e-02 8.149083674e-02 5.32 6.905792060e-02 6.905792060e-02 5.34 5.805342716e-02 5.805342716e-02 5.36 4.842209905e-02 4.842209905e-02 5.38 4.005929160e-02 4.005929160e-02 5.40 3.283549834e-02 3.283549834e-02 5.42 2.661863341e-02 2.661863341e-02 5.44 2.129026484e-02 2.129026484e-02 5.46 1.675276233e-02 1.675276233e-02 5.48 1.292878849e-02 1.292878849e-02 5.50 9.755834158e-03 9.755834158e-03 5.52 7.178925436e-03 7.178925436e-03 5.54 5.140051397e-03 5.140051397e-03 5.56 3.569240891e-03 3.569240891e-03 5.58 2.394241079e-03 2.394241079e-03 5.60 1.543968443e-03 1.543968443e-03 5.62 9.512721712e-04 9.512721712e-04 5.64 5.554706310e-04 5.554706310e-04 5.66 3.040776137e-04 3.040776137e-04 5.68 1.537248931e-04 1.537248931e-04 5.70 7.025442053e-05 7.025442053e-05 5.72 2.811298973e-05 2.811298973e-05 5.74 9.315540004e-06 9.315540004e-06 5.76 2.272889743e-06 2.272889743e-06 5.78 2.761854763e-07 2.761854763e-07 5.80 5.478652426e-10 5.478652426e-10 5.82 -9.425014416e-08 -9.425014416e-08 5.84 -9.461164753e-07 -9.461164753e-07 5.86 -3.557430519e-06 -3.557430519e-06 5.88 -8.837805786e-06 -8.837805786e-06 5.90 -1.778149273e-05 -1.778149273e-05 5.92 -3.126089467e-05 -3.126089467e-05 5.94 -5.025090305e-05 -5.025090305e-05 5.96 -7.565424785e-05 -7.565424785e-05 5.98 -1.082436913e-04 -1.082436913e-04 6.00 -9.269558707e-05 -5.108096463e-05