# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoFe2Mg # 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 2024-04-11 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 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.413581814e+02 2.413581814e+02 1.30 2.212230940e+02 2.212230940e+02 1.32 2.027455908e+02 2.027455908e+02 1.34 1.857787105e+02 1.857787105e+02 1.36 1.701919209e+02 1.701919209e+02 1.38 1.558693579e+02 1.558693579e+02 1.40 1.427073184e+02 1.427073184e+02 1.42 1.306118617e+02 1.306118617e+02 1.44 1.194970065e+02 1.194970065e+02 1.46 1.092837767e+02 1.092837767e+02 1.48 9.989991674e+01 9.989991674e+01 1.50 9.127960861e+01 9.127960861e+01 1.52 8.336271685e+01 8.336271685e+01 1.54 7.609378279e+01 7.609378279e+01 1.56 6.942126123e+01 6.942126123e+01 1.58 6.329713696e+01 6.329713696e+01 1.60 5.767655050e+01 5.767655050e+01 1.62 5.251836056e+01 5.251836056e+01 1.64 4.778478829e+01 4.778478829e+01 1.66 4.344017740e+01 4.344017740e+01 1.68 3.945175360e+01 3.945175360e+01 1.70 3.578949808e+01 3.578949808e+01 1.72 3.242605641e+01 3.242605641e+01 1.74 2.933656384e+01 2.933656384e+01 1.76 2.649845675e+01 2.649845675e+01 1.78 2.389132512e+01 2.389132512e+01 1.80 2.149677060e+01 2.149677060e+01 1.82 1.929821177e+01 1.929821177e+01 1.84 1.728062139e+01 1.728062139e+01 1.86 1.543025246e+01 1.543025246e+01 1.88 1.373439375e+01 1.373439375e+01 1.90 1.218117513e+01 1.218117513e+01 1.92 1.075942173e+01 1.075942173e+01 1.94 9.458565159e+00 9.458565159e+00 1.96 8.268612849e+00 8.268612849e+00 1.98 7.180166505e+00 7.180166505e+00 2.00 6.184465032e+00 6.184465032e+00 2.02 5.273430567e+00 5.273430567e+00 2.04 4.439701917e+00 4.439701917e+00 2.06 3.676641682e+00 3.676641682e+00 2.08 2.978310634e+00 2.978310634e+00 2.10 2.339412534e+00 2.339412534e+00 2.12 1.755218460e+00 1.755218460e+00 2.14 1.221482648e+00 1.221482648e+00 2.16 7.343633136e-01 7.343633136e-01 2.18 2.903548817e-01 2.903548817e-01 2.20 -1.137644282e-01 -1.137644282e-01 2.22 -4.809733795e-01 -4.809733795e-01 2.24 -8.140370497e-01 -8.140370497e-01 2.26 -1.115527214e+00 -1.115527214e+00 2.28 -1.387836655e+00 -1.387836655e+00 2.30 -1.633187786e+00 -1.633187786e+00 2.32 -1.853642620e+00 -1.853642620e+00 2.34 -2.051127836e+00 -2.051127836e+00 2.36 -2.227444780e+00 -2.227444780e+00 2.38 -2.384161390e+00 -2.384161390e+00 2.40 -2.522731999e+00 -2.522731999e+00 2.42 -2.644516261e+00 -2.644516261e+00 2.44 -2.750788550e+00 -2.750788550e+00 2.46 -2.842752140e+00 -2.842752140e+00 2.48 -2.921538797e+00 -2.921538797e+00 2.50 -2.988137396e+00 -2.988137396e+00 2.52 -3.043455253e+00 -3.043455253e+00 2.54 -3.088377102e+00 -3.088377102e+00 2.56 -3.123762992e+00 -3.123762992e+00 2.58 -3.150444031e+00 -3.150444031e+00 2.60 -3.169205805e+00 -3.169205805e+00 2.62 -3.180563850e+00 -3.180563850e+00 2.64 -3.184801330e+00 -3.184801330e+00 2.66 -3.182212057e+00 -3.182212057e+00 2.68 -3.173098453e+00 -3.173098453e+00 2.70 -3.157764780e+00 -3.157764780e+00 2.72 -3.136518033e+00 -3.136518033e+00 2.74 -3.109673705e+00 -3.109673705e+00 2.76 -3.077563605e+00 -3.077563605e+00 2.78 -3.040543206e+00 -3.040543206e+00 2.80 -2.998997351e+00 -2.998997351e+00 2.82 -2.953340901e+00 -2.953340901e+00 2.84 -2.904016016e+00 -2.904016016e+00 2.86 -2.851483670e+00 -2.851483670e+00 2.88 -2.796211064e+00 -2.796211064e+00 2.90 -2.738656568e+00 -2.738656568e+00 2.92 -2.679254654e+00 -2.679254654e+00 2.94 -2.618403311e+00 -2.618403311e+00 2.96 -2.556471343e+00 -2.556471343e+00 2.98 -2.493770048e+00 -2.493770048e+00 3.00 -2.430519844e+00 -2.430519844e+00 3.02 -2.366904518e+00 -2.366904518e+00 3.04 -2.303075614e+00 -2.303075614e+00 3.06 -2.239157128e+00 -2.239157128e+00 3.08 -2.175235873e+00 -2.175235873e+00 3.10 -2.111301241e+00 -2.111301241e+00 3.12 -2.047307513e+00 -2.047307513e+00 3.14 -1.983219026e+00 -1.983219026e+00 3.16 -1.919017735e+00 -1.919017735e+00 3.18 -1.854714824e+00 -1.854714824e+00 3.20 -1.790360341e+00 -1.790360341e+00 3.22 -1.726050950e+00 -1.726050950e+00 3.24 -1.661934000e+00 -1.661934000e+00 3.26 -1.598206850e+00 -1.598206850e+00 3.28 -1.535110885e+00 -1.535110885e+00 3.30 -1.472920356e+00 -1.472920356e+00 3.32 -1.411926962e+00 -1.411926962e+00 3.34 -1.352421907e+00 -1.352421907e+00 3.36 -1.294677658e+00 -1.294677658e+00 3.38 -1.238931754e+00 -1.238931754e+00 3.40 -1.185374476e+00 -1.185374476e+00 3.42 -1.134141901e+00 -1.134141901e+00 3.44 -1.085313464e+00 -1.085313464e+00 3.46 -1.038914875e+00 -1.038914875e+00 3.48 -9.949241320e-01 -9.949241320e-01 3.50 -9.532797681e-01 -9.532797681e-01 3.52 -9.138899932e-01 -9.138899932e-01 3.54 -8.766417134e-01 -8.766417134e-01 3.56 -8.414086997e-01 -8.414086997e-01 3.58 -8.080584988e-01 -8.080584988e-01 3.60 -7.764579238e-01 -7.764579238e-01 3.62 -7.464771527e-01 -7.464771527e-01 3.64 -7.179925817e-01 -7.179925817e-01 3.66 -6.908886370e-01 -6.908886370e-01 3.68 -6.650587670e-01 -6.650587670e-01 3.70 -6.404058265e-01 -6.404058265e-01 3.72 -6.168420319e-01 -6.168420319e-01 3.74 -5.942886329e-01 -5.942886329e-01 3.76 -5.726754062e-01 -5.726754062e-01 3.78 -5.519400395e-01 -5.519400395e-01 3.80 -5.320274418e-01 -5.320274418e-01 3.82 -5.128889959e-01 -5.128889959e-01 3.84 -4.944817517e-01 -4.944817517e-01 3.86 -4.767675680e-01 -4.767675680e-01 3.88 -4.597122182e-01 -4.597122182e-01 3.90 -4.432845000e-01 -4.432845000e-01 3.92 -4.274553094e-01 -4.274553094e-01 3.94 -4.121973422e-01 -4.121973422e-01 3.96 -3.974839116e-01 -3.974839116e-01 3.98 -3.832890745e-01 -3.832890745e-01 4.00 -3.695873669e-01 -3.695873669e-01 4.02 -3.563538280e-01 -3.563538280e-01 4.04 -3.435641454e-01 -3.435641454e-01 4.06 -3.311948810e-01 -3.311948810e-01 4.08 -3.192237458e-01 -3.192237458e-01 4.10 -3.076295524e-01 -3.076295524e-01 4.12 -2.963940122e-01 -2.963940122e-01 4.14 -2.854997317e-01 -2.854997317e-01 4.16 -2.749321888e-01 -2.749321888e-01 4.18 -2.646795860e-01 -2.646795860e-01 4.20 -2.547330710e-01 -2.547330710e-01 4.22 -2.450868306e-01 -2.450868306e-01 4.24 -2.357380005e-01 -2.357380005e-01 4.26 -2.266863361e-01 -2.266863361e-01 4.28 -2.179336232e-01 -2.179336232e-01 4.30 -2.094828715e-01 -2.094828715e-01 4.32 -2.013373400e-01 -2.013373400e-01 4.34 -1.934995175e-01 -1.934995175e-01 4.36 -1.859697982e-01 -1.859697982e-01 4.38 -1.787459741e-01 -1.787459741e-01 4.40 -1.718242847e-01 -1.718242847e-01 4.42 -1.651978331e-01 -1.651978331e-01 4.44 -1.588567856e-01 -1.588567856e-01 4.46 -1.527888706e-01 -1.527888706e-01 4.48 -1.469799955e-01 -1.469799955e-01 4.50 -1.414148837e-01 -1.414148837e-01 4.52 -1.360776579e-01 -1.360776579e-01 4.54 -1.309523260e-01 -1.309523260e-01 4.56 -1.260231517e-01 -1.260231517e-01 4.58 -1.212749154e-01 -1.212749154e-01 4.60 -1.166930811e-01 -1.166930811e-01 4.62 -1.122638943e-01 -1.122638943e-01 4.64 -1.079744333e-01 -1.079744333e-01 4.66 -1.038126392e-01 -1.038126392e-01 4.68 -9.976734257e-02 -9.976734257e-02 4.70 -9.582830312e-02 -9.582830312e-02 4.72 -9.198627287e-02 -9.198627287e-02 4.74 -8.823308990e-02 -8.823308990e-02 4.76 -8.456180348e-02 -8.456180348e-02 4.78 -8.096682643e-02 -8.096682643e-02 4.80 -7.744389779e-02 -7.744389779e-02 4.82 -7.399110929e-02 -7.399110929e-02 4.84 -7.060768922e-02 -7.060768922e-02 4.86 -6.729503030e-02 -6.729503030e-02 4.88 -6.405646515e-02 -6.405646515e-02 4.90 -6.089713006e-02 -6.089713006e-02 4.92 -5.782371051e-02 -5.782371051e-02 4.94 -5.484404968e-02 -5.484404968e-02 4.96 -5.196663485e-02 -5.196663485e-02 4.98 -4.919999951e-02 -4.919999951e-02 5.00 -4.655209633e-02 -4.655209633e-02 5.02 -4.402970580e-02 -4.402970580e-02 5.04 -4.163794327e-02 -4.163794327e-02 5.06 -3.937991391e-02 -3.937991391e-02 5.08 -3.725654318e-02 -3.725654318e-02 5.10 -3.526658551e-02 -3.526658551e-02 5.12 -3.340678893e-02 -3.340678893e-02 5.14 -3.167218000e-02 -3.167218000e-02 5.16 -3.005642382e-02 -3.005642382e-02 5.18 -2.855221298e-02 -2.855221298e-02 5.20 -2.715164777e-02 -2.715164777e-02 5.22 -2.584657982e-02 -2.584657982e-02 5.24 -2.462890216e-02 -2.462890216e-02 5.26 -2.349077856e-02 -2.349077856e-02 5.28 -2.242481260e-02 -2.242481260e-02 5.30 -2.142416176e-02 -2.142416176e-02 5.32 -2.048260457e-02 -2.048260457e-02 5.34 -1.959456942e-02 -1.959456942e-02 5.36 -1.875513339e-02 -1.875513339e-02 5.38 -1.795996774e-02 -1.795996774e-02 5.40 -1.720529253e-02 -1.720529253e-02 5.42 -1.648794811e-02 -1.648794811e-02 5.44 -1.580524390e-02 -1.580524390e-02 5.46 -1.515488925e-02 -1.515488925e-02 5.48 -1.453492691e-02 -1.453492691e-02 5.50 -1.394366724e-02 -1.394366724e-02 5.52 -1.337962607e-02 -1.337962607e-02 5.54 -1.284146842e-02 -1.284146842e-02 5.56 -1.232796055e-02 -1.232796055e-02 5.58 -1.183793129e-02 -1.183793129e-02 5.60 -1.137024356e-02 -1.137024356e-02 5.62 -1.092377556e-02 -1.092377556e-02 5.64 -1.049741070e-02 -1.049741070e-02 5.66 -1.009003464e-02 -1.009003464e-02 5.68 -9.700537599e-03 -9.700537599e-03 5.70 -9.327820053e-03 -9.327820053e-03 5.72 -8.970800093e-03 -8.970800093e-03 5.74 -8.628421112e-03 -8.628421112e-03 5.76 -8.299658821e-03 -8.299658821e-03 5.78 -7.983527011e-03 -7.983527011e-03 5.80 -7.679081804e-03 -7.679081804e-03 5.82 -7.385424389e-03 -7.385424389e-03 5.84 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