# 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 = AlCo2Ni # 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 -3.868692433e+02 -3.868692433e+02 1.04 -3.661731363e+02 -3.661731363e+02 1.06 -3.466899635e+02 -3.466899635e+02 1.08 -3.283720943e+02 -3.283720943e+02 1.10 -3.109112299e+02 -3.109112299e+02 1.12 -2.939458797e+02 -2.939458797e+02 1.14 -2.773807810e+02 -2.773807810e+02 1.16 -2.612809215e+02 -2.612809215e+02 1.18 -2.459834325e+02 -2.459834325e+02 1.20 -2.319434143e+02 -2.319434143e+02 1.22 -2.193318502e+02 -2.193318502e+02 1.24 -2.079821682e+02 -2.079821682e+02 1.26 -1.976984209e+02 -1.976984209e+02 1.28 -1.883261144e+02 -1.883261144e+02 1.30 -1.796585172e+02 -1.796585172e+02 1.32 -1.714583952e+02 -1.714583952e+02 1.34 -1.635245302e+02 -1.635245302e+02 1.36 -1.558060740e+02 -1.558060740e+02 1.38 -1.483354938e+02 -1.483354938e+02 1.40 -1.410717018e+02 -1.410717018e+02 1.42 -1.338717368e+02 -1.338717368e+02 1.44 -1.266245634e+02 -1.266245634e+02 1.46 -1.192579568e+02 -1.192579568e+02 1.48 -1.117782691e+02 -1.117782691e+02 1.50 -1.042894596e+02 -1.042894596e+02 1.52 -9.691943793e+01 -9.691943793e+01 1.54 -8.975059840e+01 -8.975059840e+01 1.56 -8.278987043e+01 -8.278987043e+01 1.58 -7.600056589e+01 -7.600056589e+01 1.60 -6.935783784e+01 -6.935783784e+01 1.62 -6.288348742e+01 -6.288348742e+01 1.64 -5.666613489e+01 -5.666613489e+01 1.66 -5.079733710e+01 -5.079733710e+01 1.68 -4.530791391e+01 -4.530791391e+01 1.70 -4.018784902e+01 -4.018784902e+01 1.72 -3.543169758e+01 -3.543169758e+01 1.74 -3.103576276e+01 -3.103576276e+01 1.76 -2.699392446e+01 -2.699392446e+01 1.78 -2.327470960e+01 -2.327470960e+01 1.80 -1.983336082e+01 -1.983336082e+01 1.82 -1.663014865e+01 -1.663014865e+01 1.84 -1.364450494e+01 -1.364450494e+01 1.86 -1.088052912e+01 -1.088052912e+01 1.88 -8.397898418e+00 -8.397898418e+00 1.90 -6.329681392e+00 -6.329681392e+00 1.92 -4.815204416e+00 -4.815204416e+00 1.94 -3.741053432e+00 -3.741053432e+00 1.96 -3.015619242e+00 -3.015619242e+00 1.98 -2.564756121e+00 -2.564756121e+00 2.00 -2.325114949e+00 -2.325114949e+00 2.02 -2.241597234e+00 -2.241597234e+00 2.04 -2.267556681e+00 -2.267556681e+00 2.06 -2.365027131e+00 -2.365027131e+00 2.08 -2.505903406e+00 -2.505903406e+00 2.10 -2.669990570e+00 -2.669990570e+00 2.12 -2.843505721e+00 -2.843505721e+00 2.14 -3.017250620e+00 -3.017250620e+00 2.16 -3.184571697e+00 -3.184571697e+00 2.18 -3.340194986e+00 -3.340194986e+00 2.20 -3.478599395e+00 -3.478599395e+00 2.22 -3.596297204e+00 -3.596297204e+00 2.24 -3.694328941e+00 -3.694328941e+00 2.26 -3.775673187e+00 -3.775673187e+00 2.28 -3.842482281e+00 -3.842482281e+00 2.30 -3.896386134e+00 -3.896386134e+00 2.32 -3.938963970e+00 -3.938963970e+00 2.34 -3.971736793e+00 -3.971736793e+00 2.36 -3.996929887e+00 -3.996929887e+00 2.38 -4.017072367e+00 -4.017072367e+00 2.40 -4.034755113e+00 -4.034755113e+00 2.42 -4.052232362e+00 -4.052232362e+00 2.44 -4.071139976e+00 -4.071139976e+00 2.46 -4.091378241e+00 -4.091378241e+00 2.48 -4.112297607e+00 -4.112297607e+00 2.50 -4.133154762e+00 -4.133154762e+00 2.52 -4.152691678e+00 -4.152691678e+00 2.54 -4.168891003e+00 -4.168891003e+00 2.56 -4.179535174e+00 -4.179535174e+00 2.58 -4.182465926e+00 -4.182465926e+00 2.60 -4.176436897e+00 -4.176436897e+00 2.62 -4.161505746e+00 -4.161505746e+00 2.64 -4.138089392e+00 -4.138089392e+00 2.66 -4.106772212e+00 -4.106772212e+00 2.68 -4.068098198e+00 -4.068098198e+00 2.70 -4.022618238e+00 -4.022618238e+00 2.72 -3.970924924e+00 -3.970924924e+00 2.74 -3.913659398e+00 -3.913659398e+00 2.76 -3.851616409e+00 -3.851616409e+00 2.78 -3.785810201e+00 -3.785810201e+00 2.80 -3.717452973e+00 -3.717452973e+00 2.82 -3.647712073e+00 -3.647712073e+00 2.84 -3.577453369e+00 -3.577453369e+00 2.86 -3.507174080e+00 -3.507174080e+00 2.88 -3.436931568e+00 -3.436931568e+00 2.90 -3.366506172e+00 -3.366506172e+00 2.92 -3.295789195e+00 -3.295789195e+00 2.94 -3.224621619e+00 -3.224621619e+00 2.96 -3.152934064e+00 -3.152934064e+00 2.98 -3.080890264e+00 -3.080890264e+00 3.00 -3.008868363e+00 -3.008868363e+00 3.02 -2.937395464e+00 -2.937395464e+00 3.04 -2.866995592e+00 -2.866995592e+00 3.06 -2.797919839e+00 -2.797919839e+00 3.08 -2.730059015e+00 -2.730059015e+00 3.10 -2.662905874e+00 -2.662905874e+00 3.12 -2.595979598e+00 -2.595979598e+00 3.14 -2.528922753e+00 -2.528922753e+00 3.16 -2.461501681e+00 -2.461501681e+00 3.18 -2.393606766e+00 -2.393606766e+00 3.20 -2.325268367e+00 -2.325268367e+00 3.22 -2.256561342e+00 -2.256561342e+00 3.24 -2.187574387e+00 -2.187574387e+00 3.26 -2.118429775e+00 -2.118429775e+00 3.28 -2.049464079e+00 -2.049464079e+00 3.30 -1.981213292e+00 -1.981213292e+00 3.32 -1.914114660e+00 -1.914114660e+00 3.34 -1.848484331e+00 -1.848484331e+00 3.36 -1.784511937e+00 -1.784511937e+00 3.38 -1.722276008e+00 -1.722276008e+00 3.40 -1.661806331e+00 -1.661806331e+00 3.42 -1.603164301e+00 -1.603164301e+00 3.44 -1.546396809e+00 -1.546396809e+00 3.46 -1.491534796e+00 -1.491534796e+00 3.48 -1.438598494e+00 -1.438598494e+00 3.50 -1.387596110e+00 -1.387596110e+00 3.52 -1.338524771e+00 -1.338524771e+00 3.54 -1.291385927e+00 -1.291385927e+00 3.56 -1.246166425e+00 -1.246166425e+00 3.58 -1.202817686e+00 -1.202817686e+00 3.60 -1.161249712e+00 -1.161249712e+00 3.62 -1.121358743e+00 -1.121358743e+00 3.64 -1.083032802e+00 -1.083032802e+00 3.66 -1.046171259e+00 -1.046171259e+00 3.68 -1.010677647e+00 -1.010677647e+00 3.70 -9.764518747e-01 -9.764518747e-01 3.72 -9.433767628e-01 -9.433767628e-01 3.74 -9.113210381e-01 -9.113210381e-01 3.76 -8.801561065e-01 -8.801561065e-01 3.78 -8.497573688e-01 -8.497573688e-01 3.80 -8.200041833e-01 -8.200041833e-01 3.82 -7.907794804e-01 -7.907794804e-01 3.84 -7.619694403e-01 -7.619694403e-01 3.86 -7.334661237e-01 -7.334661237e-01 3.88 -7.051912905e-01 -7.051912905e-01 3.90 -6.770851475e-01 -6.770851475e-01 3.92 -6.490930533e-01 -6.490930533e-01 3.94 -6.211702735e-01 -6.211702735e-01 3.96 -5.932877306e-01 -5.932877306e-01 3.98 -5.654257999e-01 -5.654257999e-01 4.00 -5.375738396e-01 -5.375738396e-01 4.02 -5.097304337e-01 -5.097304337e-01 4.04 -4.819036643e-01 -4.819036643e-01 4.06 -4.541109413e-01 -4.541109413e-01 4.08 -4.263808041e-01 -4.263808041e-01 4.10 -3.987540712e-01 -3.987540712e-01 4.12 -3.712807492e-01 -3.712807492e-01 4.14 -3.440087531e-01 -3.440087531e-01 4.16 -3.169775664e-01 -3.169775664e-01 4.18 -2.902328449e-01 -2.902328449e-01 4.20 -2.638347926e-01 -2.638347926e-01 4.22 -2.378904522e-01 -2.378904522e-01 4.24 -2.125259539e-01 -2.125259539e-01 4.26 -1.878727982e-01 -1.878727982e-01 4.28 -1.640545115e-01 -1.640545115e-01 4.30 -1.412047217e-01 -1.412047217e-01 4.32 -1.209713754e-01 -1.209713754e-01 4.34 -1.058019694e-01 -1.058019694e-01 4.36 -9.691652311e-02 -9.691652311e-02 4.38 -9.447330767e-02 -9.447330767e-02 4.40 -9.781621974e-02 -9.781621974e-02 4.42 -1.057128039e-01 -1.057128039e-01 4.44 -1.165760375e-01 -1.165760375e-01 4.46 -1.286679372e-01 -1.286679372e-01 4.48 -1.402807012e-01 -1.402807012e-01 4.50 -1.498907859e-01 -1.498907859e-01 4.52 -1.562941187e-01 -1.562941187e-01 4.54 -1.588011846e-01 -1.588011846e-01 4.56 -1.572342147e-01 -1.572342147e-01 4.58 -1.518239375e-01 -1.518239375e-01 4.60 -1.431199420e-01 -1.431199420e-01 4.62 -1.318806901e-01 -1.318806901e-01 4.64 -1.189547219e-01 -1.189547219e-01 4.66 -1.051694604e-01 -1.051694604e-01 4.68 -9.124238059e-02 -9.124238059e-02 4.70 -7.772587204e-02 -7.772587204e-02 4.72 -6.498771129e-02 -6.498771129e-02 4.74 -5.321916989e-02 -5.321916989e-02 4.76 -4.246424869e-02 -4.246424869e-02 4.78 -3.265045603e-02 -3.265045603e-02 4.80 -2.364054328e-02 -2.364054328e-02 4.82 -1.529305211e-02 -1.529305211e-02 4.84 -7.477417852e-03 -7.477417852e-03 4.86 -9.203099059e-05 -9.203099059e-05 4.88 6.924436163e-03 6.924436163e-03 4.90 1.359058267e-02 1.359058267e-02 4.92 1.988698509e-02 1.988698509e-02 4.94 2.576648758e-02 2.576648758e-02 4.96 3.116432520e-02 3.116432520e-02 4.98 3.599947497e-02 3.599947497e-02 5.00 4.020457482e-02 4.020457482e-02 5.02 4.373943511e-02 4.373943511e-02 5.04 4.659504930e-02 4.659504930e-02 5.06 4.879201654e-02 4.879201654e-02 5.08 5.036455483e-02 5.036455483e-02 5.10 5.134854502e-02 5.134854502e-02 5.12 5.178008278e-02 5.178008278e-02 5.14 5.169420802e-02 5.169420802e-02 5.16 5.112382662e-02 5.112382662e-02 5.18 5.009906292e-02 5.009906292e-02 5.20 4.864707439e-02 4.864707439e-02 5.22 4.679473482e-02 4.679473482e-02 5.24 4.457917034e-02 4.457917034e-02 5.26 4.204212216e-02 4.204212216e-02 5.28 3.922905537e-02 3.922905537e-02 5.30 3.619108495e-02 3.619108495e-02 5.32 3.298599231e-02 3.298599231e-02 5.34 2.967802004e-02 2.967802004e-02 5.36 2.633607604e-02 2.633607604e-02 5.38 2.303067970e-02 2.303067970e-02 5.40 1.983010005e-02 1.983010005e-02 5.42 1.679647562e-02 1.679647562e-02 5.44 1.398214822e-02 1.398214822e-02 5.46 1.142759391e-02 1.142759391e-02 5.48 9.160368752e-03 9.160368752e-03 5.50 7.195898907e-03 7.195898907e-03 5.52 5.538723422e-03 5.538723422e-03 5.54 4.178902771e-03 4.178902771e-03 5.56 3.086866297e-03 3.086866297e-03 5.58 2.228081761e-03 2.228081761e-03 5.60 1.567302057e-03 1.567302057e-03 5.62 1.070500367e-03 1.070500367e-03 5.64 7.061786082e-04 7.061786082e-04 5.66 4.464074843e-04 4.464074843e-04 5.68 2.672448346e-04 2.672448346e-04 5.70 1.485931895e-04 1.485931895e-04 5.72 7.428931853e-05 7.428931853e-05 5.74 3.143359988e-05 3.143359988e-05 5.76 9.831411835e-06 9.831411835e-06 5.78 1.538397583e-06 1.538397583e-06 5.80 -9.193276197e-09 -9.193276197e-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