# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Al-Mn # implementation = 2025--Sharifi-H--Fe-Al-Mn--LAMMPS--ipr1 # composition = Al2FeMn # 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 2025-07-01 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 6.484488543e+02 6.484488543e+02 1.00 5.903996978e+02 5.903996978e+02 1.02 5.374366925e+02 5.374366925e+02 1.04 4.893184702e+02 4.893184702e+02 1.06 4.491388328e+02 4.491388328e+02 1.08 4.164428228e+02 4.164428228e+02 1.10 3.891441012e+02 3.891441012e+02 1.12 3.656891827e+02 3.656891827e+02 1.14 3.449400039e+02 3.449400039e+02 1.16 3.260784758e+02 3.260784758e+02 1.18 3.085304062e+02 3.085304062e+02 1.20 2.919051861e+02 2.919051861e+02 1.22 2.759483236e+02 2.759483236e+02 1.24 2.605044349e+02 2.605044349e+02 1.26 2.454886107e+02 2.454886107e+02 1.28 2.308645173e+02 2.308645173e+02 1.30 2.166278565e+02 2.166278565e+02 1.32 2.027940495e+02 2.027940495e+02 1.34 1.893892452e+02 1.893892452e+02 1.36 1.764439021e+02 1.764439021e+02 1.38 1.639883592e+02 1.639883592e+02 1.40 1.520499177e+02 1.520499177e+02 1.42 1.406510553e+02 1.406510553e+02 1.44 1.298084785e+02 1.298084785e+02 1.46 1.195327640e+02 1.195327640e+02 1.48 1.098284346e+02 1.098284346e+02 1.50 1.006943360e+02 1.006943360e+02 1.52 9.212417474e+01 9.212417474e+01 1.54 8.410715586e+01 8.410715586e+01 1.56 7.662866555e+01 7.662866555e+01 1.58 6.967095304e+01 6.967095304e+01 1.60 6.321378688e+01 6.321378688e+01 1.62 5.723506484e+01 5.723506484e+01 1.64 5.171136788e+01 5.171136788e+01 1.66 4.661845018e+01 4.661845018e+01 1.68 4.193164567e+01 4.193164567e+01 1.70 3.762621994e+01 3.762621994e+01 1.72 3.367768430e+01 3.367768430e+01 1.74 3.006205330e+01 3.006205330e+01 1.76 2.675605091e+01 2.675605091e+01 1.78 2.373728431e+01 2.373728431e+01 1.80 2.098435092e+01 2.098435092e+01 1.82 1.847690447e+01 1.847690447e+01 1.84 1.619570602e+01 1.619570602e+01 1.86 1.412262231e+01 1.412262231e+01 1.88 1.224061102e+01 1.224061102e+01 1.90 1.053372560e+01 1.053372560e+01 1.92 8.987107319e+00 8.987107319e+00 1.94 7.586963493e+00 7.586963493e+00 1.96 6.320534294e+00 6.320534294e+00 1.98 5.176047850e+00 5.176047850e+00 2.00 4.142672677e+00 4.142672677e+00 2.02 3.210468438e+00 3.210468438e+00 2.04 2.370349059e+00 2.370349059e+00 2.06 1.614134349e+00 1.614134349e+00 2.08 9.344089289e-01 9.344089289e-01 2.10 3.243984209e-01 3.243984209e-01 2.12 -2.220918325e-01 -2.220918325e-01 2.14 -7.107296664e-01 -7.107296664e-01 2.16 -1.146700363e+00 -1.146700363e+00 2.18 -1.534747086e+00 -1.534747086e+00 2.20 -1.879208015e+00 -1.879208015e+00 2.22 -2.184050373e+00 -2.184050373e+00 2.24 -2.452901570e+00 -2.452901570e+00 2.26 -2.689077789e+00 -2.689077789e+00 2.28 -2.895609864e+00 -2.895609864e+00 2.30 -3.075218329e+00 -3.075218329e+00 2.32 -3.230291819e+00 -3.230291819e+00 2.34 -3.363016747e+00 -3.363016747e+00 2.36 -3.475407343e+00 -3.475407343e+00 2.38 -3.569318637e+00 -3.569318637e+00 2.40 -3.646458428e+00 -3.646458428e+00 2.42 -3.708398341e+00 -3.708398341e+00 2.44 -3.756584055e+00 -3.756584055e+00 2.46 -3.792344736e+00 -3.792344736e+00 2.48 -3.816901778e+00 -3.816901778e+00 2.50 -3.831386755e+00 -3.831386755e+00 2.52 -3.836875502e+00 -3.836875502e+00 2.54 -3.834359741e+00 -3.834359741e+00 2.56 -3.824743467e+00 -3.824743467e+00 2.58 -3.808849903e+00 -3.808849903e+00 2.60 -3.787427910e+00 -3.787427910e+00 2.62 -3.761157895e+00 -3.761157895e+00 2.64 -3.730657257e+00 -3.730657257e+00 2.66 -3.696485398e+00 -3.696485398e+00 2.68 -3.659148340e+00 -3.659148340e+00 2.70 -3.619102985e+00 -3.619102985e+00 2.72 -3.576761046e+00 -3.576761046e+00 2.74 -3.532492696e+00 -3.532492696e+00 2.76 -3.486629977e+00 -3.486629977e+00 2.78 -3.439469985e+00 -3.439469985e+00 2.80 -3.391277892e+00 -3.391277892e+00 2.82 -3.342289798e+00 -3.342289798e+00 2.84 -3.292715436e+00 -3.292715436e+00 2.86 -3.242740727e+00 -3.242740727e+00 2.88 -3.192530179e+00 -3.192530179e+00 2.90 -3.142229099e+00 -3.142229099e+00 2.92 -3.091965629e+00 -3.091965629e+00 2.94 -3.041852570e+00 -3.041852570e+00 2.96 -2.991989018e+00 -2.991989018e+00 2.98 -2.942461805e+00 -2.942461805e+00 3.00 -2.893346763e+00 -2.893346763e+00 3.02 -2.844698853e+00 -2.844698853e+00 3.04 -2.796442981e+00 -2.796442981e+00 3.06 -2.748593048e+00 -2.748593048e+00 3.08 -2.701720261e+00 -2.701720261e+00 3.10 -2.655516584e+00 -2.655516584e+00 3.12 -2.610004628e+00 -2.610004628e+00 3.14 -2.565208646e+00 -2.565208646e+00 3.16 -2.521148282e+00 -2.521148282e+00 3.18 -2.477839095e+00 -2.477839095e+00 3.20 -2.435293038e+00 -2.435293038e+00 3.22 -2.393518883e+00 -2.393518883e+00 3.24 -2.352522610e+00 -2.352522610e+00 3.26 -2.312307737e+00 -2.312307737e+00 3.28 -2.272875624e+00 -2.272875624e+00 3.30 -2.234225720e+00 -2.234225720e+00 3.32 -2.196355785e+00 -2.196355785e+00 3.34 -2.159262073e+00 -2.159262073e+00 3.36 -2.122939482e+00 -2.122939482e+00 3.38 -2.087381680e+00 -2.087381680e+00 3.40 -2.052581203e+00 -2.052581203e+00 3.42 -2.018529533e+00 -2.018529533e+00 3.44 -1.985217160e+00 -1.985217160e+00 3.46 -1.952633624e+00 -1.952633624e+00 3.48 -1.920767555e+00 -1.920767555e+00 3.50 -1.889606692e+00 -1.889606692e+00 3.52 -1.859137912e+00 -1.859137912e+00 3.54 -1.829347252e+00 -1.829347252e+00 3.56 -1.800219929e+00 -1.800219929e+00 3.58 -1.771740370e+00 -1.771740370e+00 3.60 -1.743892249e+00 -1.743892249e+00 3.62 -1.716658534e+00 -1.716658534e+00 3.64 -1.690021536e+00 -1.690021536e+00 3.66 -1.663962982e+00 -1.663962982e+00 3.68 -1.638464088e+00 -1.638464088e+00 3.70 -1.613505651e+00 -1.613505651e+00 3.72 -1.589068149e+00 -1.589068149e+00 3.74 -1.565131845e+00 -1.565131845e+00 3.76 -1.541676906e+00 -1.541676906e+00 3.78 -1.518683520e+00 -1.518683520e+00 3.80 -1.496132020e+00 -1.496132020e+00 3.82 -1.474003004e+00 -1.474003004e+00 3.84 -1.452277455e+00 -1.452277455e+00 3.86 -1.430936854e+00 -1.430936854e+00 3.88 -1.409963283e+00 -1.409963283e+00 3.90 -1.389339522e+00 -1.389339522e+00 3.92 -1.369049131e+00 -1.369049131e+00 3.94 -1.349076522e+00 -1.349076522e+00 3.96 -1.329407010e+00 -1.329407010e+00 3.98 -1.310026858e+00 -1.310026858e+00 4.00 -1.290923305e+00 -1.290923305e+00 4.02 -1.272084571e+00 -1.272084571e+00 4.04 -1.253499861e+00 -1.253499861e+00 4.06 -1.235159349e+00 -1.235159349e+00 4.08 -1.217054151e+00 -1.217054151e+00 4.10 -1.199176289e+00 -1.199176289e+00 4.12 -1.181518649e+00 -1.181518649e+00 4.14 -1.164074927e+00 -1.164074927e+00 4.16 -1.146839576e+00 -1.146839576e+00 4.18 -1.129807742e+00 -1.129807742e+00 4.20 -1.112975205e+00 -1.112975205e+00 4.22 -1.096338318e+00 -1.096338318e+00 4.24 -1.079893940e+00 -1.079893940e+00 4.26 -1.063433470e+00 -1.063433470e+00 4.28 -1.042436725e+00 -1.042436725e+00 4.30 -9.979297598e-01 -9.979297598e-01 4.32 -8.919721953e-01 -8.919721953e-01 4.34 -8.396858456e-01 -8.396858456e-01 4.36 -8.255457557e-01 -8.255457557e-01 4.38 -8.116115048e-01 -8.116115048e-01 4.40 -7.978807382e-01 -7.978807382e-01 4.42 -7.843511431e-01 -7.843511431e-01 4.44 -7.710204470e-01 -7.710204470e-01 4.46 -7.578864146e-01 -7.578864146e-01 4.48 -7.449468453e-01 -7.449468453e-01 4.50 -7.321995716e-01 -7.321995716e-01 4.52 -7.196424560e-01 -7.196424560e-01 4.54 -7.072733895e-01 -7.072733895e-01 4.56 -6.950902896e-01 -6.950902896e-01 4.58 -6.830910983e-01 -6.830910983e-01 4.60 -6.712737800e-01 -6.712737800e-01 4.62 -6.596363207e-01 -6.596363207e-01 4.64 -6.481767257e-01 -6.481767257e-01 4.66 -6.368930186e-01 -6.368930186e-01 4.68 -6.257832396e-01 -6.257832396e-01 4.70 -6.148454447e-01 -6.148454447e-01 4.72 -6.040777045e-01 -6.040777045e-01 4.74 -5.934781028e-01 -5.934781028e-01 4.76 -5.830447361e-01 -5.830447361e-01 4.78 -5.727757125e-01 -5.727757125e-01 4.80 -5.626691511e-01 -5.626691511e-01 4.82 -5.527231813e-01 -5.527231813e-01 4.84 -5.429359420e-01 -5.429359420e-01 4.86 -5.333055815e-01 -5.333055815e-01 4.88 -5.238302565e-01 -5.238302565e-01 4.90 -5.145081321e-01 -5.145081321e-01 4.92 -5.046421312e-01 -5.046421312e-01 4.94 -4.852278190e-01 -4.852278190e-01 4.96 -4.282127436e-01 -4.282127436e-01 4.98 -2.683319156e-01 -2.683319156e-01 5.00 -3.365661881e-22 -3.376114359e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 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