# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = CrFe2Mn # 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 4.760396937e+02 4.760396937e+02 0.94 4.432619619e+02 4.432619619e+02 0.96 4.126119776e+02 4.126119776e+02 0.98 3.839569889e+02 3.839569889e+02 1.00 3.571722570e+02 3.571722570e+02 1.02 3.321405868e+02 3.321405868e+02 1.04 3.087518841e+02 3.087518841e+02 1.06 2.869027383e+02 2.869027383e+02 1.08 2.664960260e+02 2.664960260e+02 1.10 2.474405406e+02 2.474405406e+02 1.12 2.296506462e+02 2.296506462e+02 1.14 2.130459484e+02 2.130459484e+02 1.16 1.975509825e+02 1.975509825e+02 1.18 1.830949206e+02 1.830949206e+02 1.20 1.696112950e+02 1.696112950e+02 1.22 1.570377386e+02 1.570377386e+02 1.24 1.453157415e+02 1.453157415e+02 1.26 1.343904214e+02 1.343904214e+02 1.28 1.242103016e+02 1.242103016e+02 1.30 1.147271057e+02 1.147271057e+02 1.32 1.058955652e+02 1.058955652e+02 1.34 9.767323900e+01 9.767323900e+01 1.36 9.002034203e+01 9.002034203e+01 1.38 8.289958514e+01 8.289958514e+01 1.40 7.627602371e+01 7.627602371e+01 1.42 7.011691462e+01 7.011691462e+01 1.44 6.439157858e+01 6.439157858e+01 1.46 5.907127833e+01 5.907127833e+01 1.48 5.412910201e+01 5.412910201e+01 1.50 4.953985117e+01 4.953985117e+01 1.52 4.527993547e+01 4.527993547e+01 1.54 4.132727365e+01 4.132727365e+01 1.56 3.766120039e+01 3.766120039e+01 1.58 3.426237876e+01 3.426237876e+01 1.60 3.111271797e+01 3.111271797e+01 1.62 2.819529596e+01 2.819529596e+01 1.64 2.549428792e+01 2.549428792e+01 1.66 2.299490155e+01 2.299490155e+01 1.68 2.068330767e+01 2.068330767e+01 1.70 1.854657860e+01 1.854657860e+01 1.72 1.657263182e+01 1.657263182e+01 1.74 1.475017694e+01 1.475017694e+01 1.76 1.306866596e+01 1.306866596e+01 1.78 1.151824649e+01 1.151824649e+01 1.80 1.008971782e+01 1.008971782e+01 1.82 8.774489672e+00 8.774489672e+00 1.84 7.564543483e+00 7.564543483e+00 1.86 6.452395994e+00 6.452395994e+00 1.88 5.431065008e+00 5.431065008e+00 1.90 4.494033876e+00 4.494033876e+00 1.92 3.635221852e+00 3.635221852e+00 1.94 2.848960460e+00 2.848960460e+00 1.96 2.129967030e+00 2.129967030e+00 1.98 1.473319635e+00 1.473319635e+00 2.00 8.744335965e-01 8.744335965e-01 2.02 3.290394650e-01 3.290394650e-01 2.04 -1.668376203e-01 -1.668376203e-01 2.06 -6.168972658e-01 -6.168972658e-01 2.08 -1.024581939e+00 -1.024581939e+00 2.10 -1.393093939e+00 -1.393093939e+00 2.12 -1.725411289e+00 -1.725411289e+00 2.14 -2.024302615e+00 -2.024302615e+00 2.16 -2.292341075e+00 -2.292341075e+00 2.18 -2.531923432e+00 -2.531923432e+00 2.20 -2.745288929e+00 -2.745288929e+00 2.22 -2.934496468e+00 -2.934496468e+00 2.24 -3.101453942e+00 -3.101453942e+00 2.26 -3.247931939e+00 -3.247931939e+00 2.28 -3.375573010e+00 -3.375573010e+00 2.30 -3.485900323e+00 -3.485900323e+00 2.32 -3.580325767e+00 -3.580325767e+00 2.34 -3.660157521e+00 -3.660157521e+00 2.36 -3.726607129e+00 -3.726607129e+00 2.38 -3.780796110e+00 -3.780796110e+00 2.40 -3.823762131e+00 -3.823762131e+00 2.42 -3.856464773e+00 -3.856464773e+00 2.44 -3.879790913e+00 -3.879790913e+00 2.46 -3.894559742e+00 -3.894559742e+00 2.48 -3.901527448e+00 -3.901527448e+00 2.50 -3.901389959e+00 -3.901389959e+00 2.52 -3.894767853e+00 -3.894767853e+00 2.54 -3.882220239e+00 -3.882220239e+00 2.56 -3.864264577e+00 -3.864264577e+00 2.58 -3.841379671e+00 -3.841379671e+00 2.60 -3.814008122e+00 -3.814008122e+00 2.62 -3.782558617e+00 -3.782558617e+00 2.64 -3.747408061e+00 -3.747408061e+00 2.66 -3.708903555e+00 -3.708903555e+00 2.68 -3.667364245e+00 -3.667364245e+00 2.70 -3.623083030e+00 -3.623083030e+00 2.72 -3.576328153e+00 -3.576328153e+00 2.74 -3.527344678e+00 -3.527344678e+00 2.76 -3.476355859e+00 -3.476355859e+00 2.78 -3.423564416e+00 -3.423564416e+00 2.80 -3.369153724e+00 -3.369153724e+00 2.82 -3.313288927e+00 -3.313288927e+00 2.84 -3.256118001e+00 -3.256118001e+00 2.86 -3.197772763e+00 -3.197772763e+00 2.88 -3.138369862e+00 -3.138369862e+00 2.90 -3.078011773e+00 -3.078011773e+00 2.92 -3.016787815e+00 -3.016787815e+00 2.94 -2.954775237e+00 -2.954775237e+00 2.96 -2.892040408e+00 -2.892040408e+00 2.98 -2.828640154e+00 -2.828640154e+00 3.00 -2.764623306e+00 -2.764623306e+00 3.02 -2.700032517e+00 -2.700032517e+00 3.04 -2.634906393e+00 -2.634906393e+00 3.06 -2.569282025e+00 -2.569282025e+00 3.08 -2.503197942e+00 -2.503197942e+00 3.10 -2.436697527e+00 -2.436697527e+00 3.12 -2.369832883e+00 -2.369832883e+00 3.14 -2.302669065e+00 -2.302669065e+00 3.16 -2.235288544e+00 -2.235288544e+00 3.18 -2.167795648e+00 -2.167795648e+00 3.20 -2.100320611e+00 -2.100320611e+00 3.22 -2.033022774e+00 -2.033022774e+00 3.24 -1.966092340e+00 -1.966092340e+00 3.26 -1.899750108e+00 -1.899750108e+00 3.28 -1.834244605e+00 -1.834244605e+00 3.30 -1.769846235e+00 -1.769846235e+00 3.32 -1.706838324e+00 -1.706838324e+00 3.34 -1.645505383e+00 -1.645505383e+00 3.36 -1.586119315e+00 -1.586119315e+00 3.38 -1.528924796e+00 -1.528924796e+00 3.40 -1.474125294e+00 -1.474125294e+00 3.42 -1.421871340e+00 -1.421871340e+00 3.44 -1.372252443e+00 -1.372252443e+00 3.46 -1.325293618e+00 -1.325293618e+00 3.48 -1.280956904e+00 -1.280956904e+00 3.50 -1.239147542e+00 -1.239147542e+00 3.52 -1.199723947e+00 -1.199723947e+00 3.54 -1.162510157e+00 -1.162510157e+00 3.56 -1.127309293e+00 -1.127309293e+00 3.58 -1.093916630e+00 -1.093916630e+00 3.60 -1.062131101e+00 -1.062131101e+00 3.62 -1.031764444e+00 -1.031764444e+00 3.64 -1.002647599e+00 -1.002647599e+00 3.66 -9.746343133e-01 -9.746343133e-01 3.68 -9.476022548e-01 -9.476022548e-01 3.70 -9.214521073e-01 -9.214521073e-01 3.72 -8.961052426e-01 -8.961052426e-01 3.74 -8.715005684e-01 -8.715005684e-01 3.76 -8.475910822e-01 -8.475910822e-01 3.78 -8.243405479e-01 -8.243405479e-01 3.80 -8.017205704e-01 -8.017205704e-01 3.82 -7.796648426e-01 -7.796648426e-01 3.84 -7.543868840e-01 -7.543868840e-01 3.86 -7.088144667e-01 -7.088144667e-01 3.88 -6.263921852e-01 -6.263921852e-01 3.90 -5.630153512e-01 -5.630153512e-01 3.92 -5.478952948e-01 -5.478952948e-01 3.94 -5.331654252e-01 -5.331654252e-01 3.96 -5.188164017e-01 -5.188164017e-01 3.98 -5.048390513e-01 -5.048390513e-01 4.00 -4.912243703e-01 -4.912243703e-01 4.02 -4.779635263e-01 -4.779635263e-01 4.04 -4.650478590e-01 -4.650478590e-01 4.06 -4.524688806e-01 -4.524688806e-01 4.08 -4.402182761e-01 -4.402182761e-01 4.10 -4.282879028e-01 -4.282879028e-01 4.12 -4.166697902e-01 -4.166697902e-01 4.14 -4.053561383e-01 -4.053561383e-01 4.16 -3.943393173e-01 -3.943393173e-01 4.18 -3.836118656e-01 -3.836118656e-01 4.20 -3.731664882e-01 -3.731664882e-01 4.22 -3.629960553e-01 -3.629960553e-01 4.24 -3.530935999e-01 -3.530935999e-01 4.26 -3.434523159e-01 -3.434523159e-01 4.28 -3.340655555e-01 -3.340655555e-01 4.30 -3.249268273e-01 -3.249268273e-01 4.32 -3.160297935e-01 -3.160297935e-01 4.34 -3.073682675e-01 -3.073682675e-01 4.36 -2.989362114e-01 -2.989362114e-01 4.38 -2.907277329e-01 -2.907277329e-01 4.40 -2.827370830e-01 -2.827370830e-01 4.42 -2.741796236e-01 -2.741796236e-01 4.44 -2.553658352e-01 -2.553658352e-01 4.46 -2.031574488e-01 -2.031574488e-01 4.48 -9.855629214e-02 -9.855629214e-02 4.50 -8.266619536e-23 -8.273767294e-23 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 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5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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