# 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 = AlCr2Fe # 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 2024-11-27 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 -4.474198887e+02 -4.474198887e+02 1.04 -4.221203416e+02 -4.221203416e+02 1.06 -3.983693747e+02 -3.983693747e+02 1.08 -3.760689126e+02 -3.760689126e+02 1.10 -3.550679894e+02 -3.550679894e+02 1.12 -3.352646207e+02 -3.352646207e+02 1.14 -3.164961115e+02 -3.164961115e+02 1.16 -2.985222097e+02 -2.985222097e+02 1.18 -2.813443022e+02 -2.813443022e+02 1.20 -2.651291741e+02 -2.651291741e+02 1.22 -2.500380621e+02 -2.500380621e+02 1.24 -2.362533947e+02 -2.362533947e+02 1.26 -2.238784684e+02 -2.238784684e+02 1.28 -2.127873791e+02 -2.127873791e+02 1.30 -2.026747416e+02 -2.026747416e+02 1.32 -1.932523473e+02 -1.932523473e+02 1.34 -1.843297103e+02 -1.843297103e+02 1.36 -1.757680236e+02 -1.757680236e+02 1.38 -1.674205538e+02 -1.674205538e+02 1.40 -1.591541561e+02 -1.591541561e+02 1.42 -1.508625956e+02 -1.508625956e+02 1.44 -1.424956861e+02 -1.424956861e+02 1.46 -1.340455265e+02 -1.340455265e+02 1.48 -1.255558331e+02 -1.255558331e+02 1.50 -1.171241382e+02 -1.171241382e+02 1.52 -1.088333804e+02 -1.088333804e+02 1.54 -1.007167418e+02 -1.007167418e+02 1.56 -9.279309830e+01 -9.279309830e+01 1.58 -8.511623517e+01 -8.511623517e+01 1.60 -7.777183815e+01 -7.777183815e+01 1.62 -7.082536741e+01 -7.082536741e+01 1.64 -6.432100908e+01 -6.432100908e+01 1.66 -5.828600361e+01 -5.828600361e+01 1.68 -5.271656462e+01 -5.271656462e+01 1.70 -4.758176316e+01 -4.758176316e+01 1.72 -4.284012665e+01 -4.284012665e+01 1.74 -3.843963955e+01 -3.843963955e+01 1.76 -3.434593549e+01 -3.434593549e+01 1.78 -3.053808103e+01 -3.053808103e+01 1.80 -2.699875601e+01 -2.699875601e+01 1.82 -2.370973895e+01 -2.370973895e+01 1.84 -2.064657964e+01 -2.064657964e+01 1.86 -1.778630233e+01 -1.778630233e+01 1.88 -1.514215160e+01 -1.514215160e+01 1.90 -1.284024913e+01 -1.284024913e+01 1.92 -1.084400461e+01 -1.084400461e+01 1.94 -9.091893877e+00 -9.091893877e+00 1.96 -7.538488245e+00 -7.538488245e+00 1.98 -6.280125556e+00 -6.280125556e+00 2.00 -5.328112426e+00 -5.328112426e+00 2.02 -4.621045117e+00 -4.621045117e+00 2.04 -4.111336543e+00 -4.111336543e+00 2.06 -3.760543907e+00 -3.760543907e+00 2.08 -3.535918426e+00 -3.535918426e+00 2.10 -3.410008300e+00 -3.410008300e+00 2.12 -3.360075054e+00 -3.360075054e+00 2.14 -3.366591646e+00 -3.366591646e+00 2.16 -3.412000417e+00 -3.412000417e+00 2.18 -3.480295539e+00 -3.480295539e+00 2.20 -3.557175418e+00 -3.557175418e+00 2.22 -3.632151524e+00 -3.632151524e+00 2.24 -3.699881199e+00 -3.699881199e+00 2.26 -3.757031394e+00 -3.757031394e+00 2.28 -3.802115017e+00 -3.802115017e+00 2.30 -3.837970719e+00 -3.837970719e+00 2.32 -3.868135462e+00 -3.868135462e+00 2.34 -3.895064115e+00 -3.895064115e+00 2.36 -3.920409886e+00 -3.920409886e+00 2.38 -3.944070270e+00 -3.944070270e+00 2.40 -3.965100073e+00 -3.965100073e+00 2.42 -3.982937934e+00 -3.982937934e+00 2.44 -3.997550759e+00 -3.997550759e+00 2.46 -4.009050807e+00 -4.009050807e+00 2.48 -4.017651013e+00 -4.017651013e+00 2.50 -4.023587126e+00 -4.023587126e+00 2.52 -4.026412405e+00 -4.026412405e+00 2.54 -4.025363993e+00 -4.025363993e+00 2.56 -4.019813607e+00 -4.019813607e+00 2.58 -4.009387555e+00 -4.009387555e+00 2.60 -3.994186874e+00 -3.994186874e+00 2.62 -3.974383733e+00 -3.974383733e+00 2.64 -3.950247270e+00 -3.950247270e+00 2.66 -3.922133328e+00 -3.922133328e+00 2.68 -3.890178717e+00 -3.890178717e+00 2.70 -3.854397497e+00 -3.854397497e+00 2.72 -3.814805840e+00 -3.814805840e+00 2.74 -3.771414501e+00 -3.771414501e+00 2.76 -3.724206486e+00 -3.724206486e+00 2.78 -3.673327837e+00 -3.673327837e+00 2.80 -3.619014232e+00 -3.619014232e+00 2.82 -3.561507480e+00 -3.561507480e+00 2.84 -3.501015476e+00 -3.501015476e+00 2.86 -3.437765498e+00 -3.437765498e+00 2.88 -3.372019648e+00 -3.372019648e+00 2.90 -3.304146082e+00 -3.304146082e+00 2.92 -3.234712811e+00 -3.234712811e+00 2.94 -3.164360990e+00 -3.164360990e+00 2.96 -3.093752939e+00 -3.093752939e+00 2.98 -3.023573381e+00 -3.023573381e+00 3.00 -2.954537138e+00 -2.954537138e+00 3.02 -2.887370494e+00 -2.887370494e+00 3.04 -2.822685870e+00 -2.822685870e+00 3.06 -2.761053098e+00 -2.761053098e+00 3.08 -2.702990978e+00 -2.702990978e+00 3.10 -2.648946859e+00 -2.648946859e+00 3.12 -2.599357707e+00 -2.599357707e+00 3.14 -2.554607139e+00 -2.554607139e+00 3.16 -2.513888165e+00 -2.513888165e+00 3.18 -2.471374404e+00 -2.471374404e+00 3.20 -2.419923130e+00 -2.419923130e+00 3.22 -2.352481245e+00 -2.352481245e+00 3.24 -2.262477038e+00 -2.262477038e+00 3.26 -2.144435815e+00 -2.144435815e+00 3.28 -1.994638146e+00 -1.994638146e+00 3.30 -1.811667685e+00 -1.811667685e+00 3.32 -1.597447331e+00 -1.597447331e+00 3.34 -1.364533893e+00 -1.364533893e+00 3.36 -1.128199301e+00 -1.128199301e+00 3.38 -8.989986379e-01 -8.989986379e-01 3.40 -6.832872271e-01 -6.832872271e-01 3.42 -4.844181370e-01 -4.844181370e-01 3.44 -3.039713377e-01 -3.039713377e-01 3.46 -1.427143802e-01 -1.427143802e-01 3.48 -1.155464090e-03 -1.155464090e-03 3.50 1.202635541e-01 1.202635541e-01 3.52 2.211963761e-01 2.211963761e-01 3.54 3.014996316e-01 3.014996316e-01 3.56 3.614113240e-01 3.614113240e-01 3.58 4.016334905e-01 4.016334905e-01 3.60 4.232528108e-01 4.232528108e-01 3.62 4.276467919e-01 4.276467919e-01 3.64 4.164342075e-01 4.164342075e-01 3.66 3.914270389e-01 3.914270389e-01 3.68 3.545827945e-01 3.545827945e-01 3.70 3.079551777e-01 3.079551777e-01 3.72 2.534665219e-01 2.534665219e-01 3.74 1.927820625e-01 1.927820625e-01 3.76 1.273914090e-01 1.273914090e-01 3.78 5.860237260e-02 5.860237260e-02 3.80 -1.246273764e-02 -1.246273764e-02 3.82 -8.486747119e-02 -8.486747119e-02 3.84 -1.578570102e-01 -1.578570102e-01 3.86 -2.308250198e-01 -2.308250198e-01 3.88 -3.030821520e-01 -3.030821520e-01 3.90 -3.722124107e-01 -3.722124107e-01 3.92 -4.156001774e-01 -4.156001774e-01 3.94 -4.076223518e-01 -4.076223518e-01 3.96 -3.354870073e-01 -3.354870073e-01 3.98 -1.960660021e-01 -1.960660021e-01 4.00 6.947413474e-03 6.947413474e-03 4.02 2.653366762e-01 2.653366762e-01 4.04 5.681833031e-01 5.681833031e-01 4.06 9.032899871e-01 9.032899871e-01 4.08 1.258253345e+00 1.258253345e+00 4.10 1.621253115e+00 1.621253115e+00 4.12 1.981588042e+00 1.981588042e+00 4.14 2.330037740e+00 2.330037740e+00 4.16 2.659044574e+00 2.659044574e+00 4.18 2.962924041e+00 2.962924041e+00 4.20 3.237848835e+00 3.237848835e+00 4.22 3.481404830e+00 3.481404830e+00 4.24 3.692470794e+00 3.692470794e+00 4.26 3.871119639e+00 3.871119639e+00 4.28 4.018461001e+00 4.018461001e+00 4.30 4.136533296e+00 4.136533296e+00 4.32 4.228122247e+00 4.228122247e+00 4.34 4.296510022e+00 4.296510022e+00 4.36 4.342675588e+00 4.342675588e+00 4.38 4.365092544e+00 4.365092544e+00 4.40 4.362433515e+00 4.362433515e+00 4.42 4.333756371e+00 4.333756371e+00 4.44 4.278581998e+00 4.278581998e+00 4.46 4.196981630e+00 4.196981630e+00 4.48 4.089622171e+00 4.089622171e+00 4.50 3.957831911e+00 3.957831911e+00 4.52 3.803631055e+00 3.803631055e+00 4.54 3.629856331e+00 3.629856331e+00 4.56 3.440435249e+00 3.440435249e+00 4.58 3.239753246e+00 3.239753246e+00 4.60 3.032373982e+00 3.032373982e+00 4.62 2.822886440e+00 2.822886440e+00 4.64 2.615693261e+00 2.615693261e+00 4.66 2.414817151e+00 2.414817151e+00 4.68 2.223660301e+00 2.223660301e+00 4.70 2.044817597e+00 2.044817597e+00 4.72 1.879910073e+00 1.879910073e+00 4.74 1.729522925e+00 1.729522925e+00 4.76 1.593223091e+00 1.593223091e+00 4.78 1.469733913e+00 1.469733913e+00 4.80 1.357169506e+00 1.357169506e+00 4.82 1.253347183e+00 1.253347183e+00 4.84 1.156057629e+00 1.156057629e+00 4.86 1.063315230e+00 1.063315230e+00 4.88 9.735302998e-01 9.735302998e-01 4.90 8.855990409e-01 8.855990409e-01 4.92 7.989125034e-01 7.989125034e-01 4.94 7.133058686e-01 7.133058686e-01 4.96 6.289876904e-01 6.289876904e-01 4.98 5.464317103e-01 5.464317103e-01 5.00 4.662801723e-01 4.662801723e-01 5.02 3.892551408e-01 3.892551408e-01 5.04 3.160782342e-01 3.160782342e-01 5.06 2.474562916e-01 2.474562916e-01 5.08 1.840265405e-01 1.840265405e-01 5.10 1.263175099e-01 1.263175099e-01 5.12 7.474149991e-02 7.474149991e-02 5.14 2.958901033e-02 2.958901033e-02 5.16 -8.974938121e-03 -8.974938121e-03 5.18 -4.091764417e-02 -4.091764417e-02 5.20 -6.634217513e-02 -6.634217513e-02 5.22 -8.549635591e-02 -8.549635591e-02 5.24 -9.877878715e-02 -9.877878715e-02 5.26 -1.066789171e-01 -1.066789171e-01 5.28 -1.097635331e-01 -1.097635331e-01 5.30 -1.086749783e-01 -1.086749783e-01 5.32 -1.041212143e-01 -1.041212143e-01 5.34 -9.685551593e-02 -9.685551593e-02 5.36 -8.764701827e-02 -8.764701827e-02 5.38 -7.724484917e-02 -7.724484917e-02 5.40 -6.634030183e-02 -6.634030183e-02 5.42 -5.553206792e-02 -5.553206792e-02 5.44 -4.530125775e-02 -4.530125775e-02 5.46 -3.599747807e-02 -3.599747807e-02 5.48 -2.783973728e-02 -2.783973728e-02 5.50 -2.092611010e-02 -2.092611010e-02 5.52 -1.525488437e-02 -1.525488437e-02 5.54 -1.075186178e-02 -1.075186178e-02 5.56 -7.297052350e-03 -7.297052350e-03 5.58 -4.742618580e-03 -4.742618580e-03 5.60 -2.928680424e-03 -2.928680424e-03 5.62 -1.698966476e-03 -1.698966476e-03 5.64 -9.100788324e-04 -9.100788324e-04 5.66 -4.374994850e-04 -4.374994850e-04 5.68 -1.790363875e-04 -1.790363875e-04 5.70 -5.504664780e-05 -5.504664780e-05 5.72 -6.977128080e-06 -6.977128080e-06 5.74 4.665510568e-06 4.665510568e-06 5.76 3.238989338e-06 3.238989338e-06 5.78 6.875998226e-07 6.875998226e-07 5.80 1.044201017e-09 1.044201017e-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