# 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 = Au2FeNi # 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 2.487093191e+02 2.487093191e+02 1.30 2.291949914e+02 2.291949914e+02 1.32 2.111874061e+02 2.111874061e+02 1.34 1.945665535e+02 1.945665535e+02 1.36 1.792224463e+02 1.792224463e+02 1.38 1.650529128e+02 1.650529128e+02 1.40 1.519630403e+02 1.519630403e+02 1.42 1.398653124e+02 1.398653124e+02 1.44 1.286796755e+02 1.286796755e+02 1.46 1.183332785e+02 1.183332785e+02 1.48 1.087599918e+02 1.087599918e+02 1.50 9.989989157e+01 9.989989157e+01 1.52 9.169854026e+01 9.169854026e+01 1.54 8.410586045e+01 8.410586045e+01 1.56 7.707496665e+01 7.707496665e+01 1.58 7.056153051e+01 7.056153051e+01 1.60 6.452381205e+01 6.452381205e+01 1.62 5.892305057e+01 5.892305057e+01 1.64 5.372382926e+01 5.372382926e+01 1.66 4.889421773e+01 4.889421773e+01 1.68 4.440572157e+01 4.440572157e+01 1.70 4.024967049e+01 4.024967049e+01 1.72 3.641913479e+01 3.641913479e+01 1.74 3.289090532e+01 3.289090532e+01 1.76 2.964378665e+01 2.964378665e+01 1.78 2.665799506e+01 2.665799506e+01 1.80 2.391476155e+01 2.391476155e+01 1.82 2.139610669e+01 2.139610669e+01 1.84 1.908481884e+01 1.908481884e+01 1.86 1.696459738e+01 1.696459738e+01 1.88 1.502023462e+01 1.502023462e+01 1.90 1.323770843e+01 1.323770843e+01 1.92 1.160413593e+01 1.160413593e+01 1.94 1.010762065e+01 1.010762065e+01 1.96 8.737071656e+00 8.737071656e+00 1.98 7.482078555e+00 7.482078555e+00 2.00 6.332889788e+00 6.332889788e+00 2.02 5.280478079e+00 5.280478079e+00 2.04 4.316627431e+00 4.316627431e+00 2.06 3.433975260e+00 3.433975260e+00 2.08 2.625982400e+00 2.625982400e+00 2.10 1.886844971e+00 1.886844971e+00 2.12 1.211379348e+00 1.211379348e+00 2.14 5.949066340e-01 5.949066340e-01 2.16 3.315123288e-02 3.315123288e-02 2.18 -4.778404437e-01 -4.778404437e-01 2.20 -9.417588866e-01 -9.417588866e-01 2.22 -1.362067605e+00 -1.362067605e+00 2.24 -1.742018565e+00 -1.742018565e+00 2.26 -2.084652811e+00 -2.084652811e+00 2.28 -2.392795603e+00 -2.392795603e+00 2.30 -2.669056066e+00 -2.669056066e+00 2.32 -2.915837574e+00 -2.915837574e+00 2.34 -3.135358075e+00 -3.135358075e+00 2.36 -3.329673721e+00 -3.329673721e+00 2.38 -3.500698176e+00 -3.500698176e+00 2.40 -3.650214253e+00 -3.650214253e+00 2.42 -3.779880218e+00 -3.779880218e+00 2.44 -3.891235974e+00 -3.891235974e+00 2.46 -3.985713120e+00 -3.985713120e+00 2.48 -4.064649462e+00 -4.064649462e+00 2.50 -4.129305776e+00 -4.129305776e+00 2.52 -4.180881742e+00 -4.180881742e+00 2.54 -4.220525297e+00 -4.220525297e+00 2.56 -4.249342691e+00 -4.249342691e+00 2.58 -4.268430007e+00 -4.268430007e+00 2.60 -4.278959385e+00 -4.278959385e+00 2.62 -4.281716687e+00 -4.281716687e+00 2.64 -4.277401720e+00 -4.277401720e+00 2.66 -4.266580227e+00 -4.266580227e+00 2.68 -4.249626400e+00 -4.249626400e+00 2.70 -4.226880916e+00 -4.226880916e+00 2.72 -4.198676366e+00 -4.198676366e+00 2.74 -4.165335632e+00 -4.165335632e+00 2.76 -4.127168289e+00 -4.127168289e+00 2.78 -4.084489925e+00 -4.084489925e+00 2.80 -4.037622944e+00 -4.037622944e+00 2.82 -3.986890633e+00 -3.986890633e+00 2.84 -3.932551731e+00 -3.932551731e+00 2.86 -3.874796969e+00 -3.874796969e+00 2.88 -3.813834394e+00 -3.813834394e+00 2.90 -3.749889259e+00 -3.749889259e+00 2.92 -3.683199525e+00 -3.683199525e+00 2.94 -3.614012931e+00 -3.614012931e+00 2.96 -3.542585402e+00 -3.542585402e+00 2.98 -3.469180499e+00 -3.469180499e+00 3.00 -3.394069269e+00 -3.394069269e+00 3.02 -3.317529532e+00 -3.317529532e+00 3.04 -3.239843591e+00 -3.239843591e+00 3.06 -3.161293770e+00 -3.161293770e+00 3.08 -3.082155985e+00 -3.082155985e+00 3.10 -3.002692530e+00 -3.002692530e+00 3.12 -2.923145822e+00 -2.923145822e+00 3.14 -2.843734810e+00 -2.843734810e+00 3.16 -2.764654939e+00 -2.764654939e+00 3.18 -2.686081514e+00 -2.686081514e+00 3.20 -2.608175257e+00 -2.608175257e+00 3.22 -2.531088384e+00 -2.531088384e+00 3.24 -2.454969570e+00 -2.454969570e+00 3.26 -2.379966671e+00 -2.379966671e+00 3.28 -2.306226715e+00 -2.306226715e+00 3.30 -2.233893337e+00 -2.233893337e+00 3.32 -2.163102351e+00 -2.163102351e+00 3.34 -2.093976389e+00 -2.093976389e+00 3.36 -2.026619642e+00 -2.026619642e+00 3.38 -1.961113566e+00 -1.961113566e+00 3.40 -1.897514154e+00 -1.897514154e+00 3.42 -1.835851040e+00 -1.835851040e+00 3.44 -1.776128379e+00 -1.776128379e+00 3.46 -1.718327221e+00 -1.718327221e+00 3.48 -1.662408928e+00 -1.662408928e+00 3.50 -1.608319177e+00 -1.608319177e+00 3.52 -1.555992115e+00 -1.555992115e+00 3.54 -1.505354302e+00 -1.505354302e+00 3.56 -1.456328225e+00 -1.456328225e+00 3.58 -1.408835226e+00 -1.408835226e+00 3.60 -1.362797795e+00 -1.362797795e+00 3.62 -1.318141272e+00 -1.318141272e+00 3.64 -1.274795010e+00 -1.274795010e+00 3.66 -1.232693134e+00 -1.232693134e+00 3.68 -1.191775026e+00 -1.191775026e+00 3.70 -1.151985645e+00 -1.151985645e+00 3.72 -1.113275815e+00 -1.113275815e+00 3.74 -1.075602520e+00 -1.075602520e+00 3.76 -1.038929229e+00 -1.038929229e+00 3.78 -1.003226192e+00 -1.003226192e+00 3.80 -9.684706050e-01 -9.684706050e-01 3.82 -9.346464914e-01 -9.346464914e-01 3.84 -9.017441489e-01 -9.017441489e-01 3.86 -8.697590596e-01 -8.697590596e-01 3.88 -8.386902384e-01 -8.386902384e-01 3.90 -8.085381228e-01 -8.085381228e-01 3.92 -7.793022251e-01 -7.793022251e-01 3.94 -7.509788534e-01 -7.509788534e-01 3.96 -7.235592086e-01 -7.235592086e-01 3.98 -6.970281235e-01 -6.970281235e-01 4.00 -6.713635663e-01 -6.713635663e-01 4.02 -6.465369088e-01 -6.465369088e-01 4.04 -6.225138334e-01 -6.225138334e-01 4.06 -5.992556891e-01 -5.992556891e-01 4.08 -5.767210878e-01 -5.767210878e-01 4.10 -5.548675601e-01 -5.548675601e-01 4.12 -5.336531477e-01 -5.336531477e-01 4.14 -5.130378241e-01 -5.130378241e-01 4.16 -4.929847385e-01 -4.929847385e-01 4.18 -4.734612348e-01 -4.734612348e-01 4.20 -4.544396448e-01 -4.544396448e-01 4.22 -4.358978420e-01 -4.358978420e-01 4.24 -4.178195360e-01 -4.178195360e-01 4.26 -4.001942918e-01 -4.001942918e-01 4.28 -3.830172662e-01 -3.830172662e-01 4.30 -3.662886723e-01 -3.662886723e-01 4.32 -3.500130101e-01 -3.500130101e-01 4.34 -3.341981272e-01 -3.341981272e-01 4.36 -3.188541887e-01 -3.188541887e-01 4.38 -3.039926375e-01 -3.039926375e-01 4.40 -2.896252079e-01 -2.896252079e-01 4.42 -2.757630263e-01 -2.757630263e-01 4.44 -2.624158003e-01 -2.624158003e-01 4.46 -2.495910789e-01 -2.495910789e-01 4.48 -2.372935585e-01 -2.372935585e-01 4.50 -2.255244331e-01 -2.255244331e-01 4.52 -2.142808087e-01 -2.142808087e-01 4.54 -2.035552360e-01 -2.035552360e-01 4.56 -1.933354262e-01 -1.933354262e-01 4.58 -1.836042135e-01 -1.836042135e-01 4.60 -1.743397961e-01 -1.743397961e-01 4.62 -1.655162639e-01 -1.655162639e-01 4.64 -1.571043737e-01 -1.571043737e-01 4.66 -1.490724880e-01 -1.490724880e-01 4.68 -1.413872045e-01 -1.413872045e-01 4.70 -1.340155634e-01 -1.340155634e-01 4.72 -1.269255726e-01 -1.269255726e-01 4.74 -1.200868692e-01 -1.200868692e-01 4.76 -1.134716564e-01 -1.134716564e-01 4.78 -1.070554849e-01 -1.070554849e-01 4.80 -1.008178775e-01 -1.008178775e-01 4.82 -9.474280275e-02 -9.474280275e-02 4.84 -8.881898076e-02 -8.881898076e-02 4.86 -8.304003260e-02 -8.304003260e-02 4.88 -7.740444427e-02 -7.740444427e-02 4.90 -7.191533764e-02 -7.191533764e-02 4.92 -6.658003681e-02 -6.658003681e-02 4.94 -6.140942962e-02 -6.140942962e-02 4.96 -5.641713986e-02 -5.641713986e-02 4.98 -5.161854524e-02 -5.161854524e-02 5.00 -4.702969617e-02 -4.702969617e-02 5.02 -4.266620633e-02 -4.266620633e-02 5.04 -3.854219533e-02 -3.854219533e-02 5.06 -3.466936216e-02 -3.466936216e-02 5.08 -3.105625628e-02 -3.105625628e-02 5.10 -2.770779338e-02 -2.770779338e-02 5.12 -2.462503126e-02 -2.462503126e-02 5.14 -2.180520263e-02 -2.180520263e-02 5.16 -1.924197383e-02 -1.924197383e-02 5.18 -1.692587607e-02 -1.692587607e-02 5.20 -1.484481399e-02 -1.484481399e-02 5.22 -1.298424864e-02 -1.298424864e-02 5.24 -1.132900085e-02 -1.132900085e-02 5.26 -9.863198465e-03 -9.863198465e-03 5.28 -8.570554203e-03 -8.570554203e-03 5.30 -7.434854282e-03 -7.434854282e-03 5.32 -6.440343288e-03 -6.440343288e-03 5.34 -5.572009696e-03 -5.572009696e-03 5.36 -4.815782175e-03 -4.815782175e-03 5.38 -4.158649790e-03 -4.158649790e-03 5.40 -3.588720191e-03 -3.588720191e-03 5.42 -3.095229509e-03 -3.095229509e-03 5.44 -2.668516335e-03 -2.668516335e-03 5.46 -2.299970473e-03 -2.299970473e-03 5.48 -1.981965244e-03 -1.981965244e-03 5.50 -1.707780298e-03 -1.707780298e-03 5.52 -1.471520257e-03 -1.471520257e-03 5.54 -1.268033079e-03 -1.268033079e-03 5.56 -1.092830898e-03 -1.092830898e-03 5.58 -9.420151313e-04 -9.420151313e-04 5.60 -8.122069621e-04 -8.122069621e-04 5.62 -7.004837599e-04 -7.004837599e-04 5.64 -6.043216110e-04 -6.043216110e-04 5.66 -5.215438669e-04 -5.215438669e-04 5.68 -4.502754407e-04 -4.502754407e-04 5.70 -3.889024709e-04 -3.889024709e-04 5.72 -3.360369114e-04 -3.360369114e-04 5.74 -2.904855861e-04 -2.904855861e-04 5.76 -2.512232448e-04 -2.512232448e-04 5.78 -2.173691765e-04 -2.173691765e-04 5.80 -1.881669627e-04 -1.881669627e-04 5.82 -1.629669874e-04 -1.629669874e-04 5.84 -1.412113552e-04 -1.412113552e-04 5.86 -1.224209055e-04 -1.224209055e-04 5.88 -1.061840440e-04 -1.061840440e-04 5.90 -9.214714821e-05 -9.214714821e-05 5.92 -8.000632947e-05 -8.000632947e-05 5.94 -6.950036593e-05 -6.950036593e-05 5.96 -6.040464132e-05 -6.040464132e-05 5.98 -5.252594883e-05 -5.252594883e-05 6.00 -4.569803733e-05 -4.569803733e-05