# 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 = Al2FeNi # 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 1.038305582e+02 1.038305582e+02 1.30 9.569921310e+01 9.569921310e+01 1.32 8.818672318e+01 8.818672318e+01 1.34 8.124019050e+01 8.124019050e+01 1.36 7.481288172e+01 7.481288172e+01 1.38 6.886468409e+01 6.886468409e+01 1.40 6.336076768e+01 6.336076768e+01 1.42 5.826937926e+01 5.826937926e+01 1.44 5.355984306e+01 5.355984306e+01 1.46 4.920162912e+01 4.920162912e+01 1.48 4.516507172e+01 4.516507172e+01 1.50 4.142321912e+01 4.142321912e+01 1.52 3.795317559e+01 3.795317559e+01 1.54 3.473581196e+01 3.473581196e+01 1.56 3.175433773e+01 3.175433773e+01 1.58 2.899285215e+01 2.899285215e+01 1.60 2.643577739e+01 2.643577739e+01 1.62 2.406778267e+01 2.406778267e+01 1.64 2.187527538e+01 2.187527538e+01 1.66 1.984687319e+01 1.984687319e+01 1.68 1.796874696e+01 1.796874696e+01 1.70 1.622820566e+01 1.622820566e+01 1.72 1.461414102e+01 1.461414102e+01 1.74 1.311698377e+01 1.311698377e+01 1.76 1.172836955e+01 1.172836955e+01 1.78 1.044080203e+01 1.044080203e+01 1.80 9.247491819e+00 9.247491819e+00 1.82 8.142329210e+00 8.142329210e+00 1.84 7.119857738e+00 7.119857738e+00 1.86 6.175164289e+00 6.175164289e+00 1.88 5.303684938e+00 5.303684938e+00 1.90 4.500974570e+00 4.500974570e+00 1.92 3.762499027e+00 3.762499027e+00 1.94 3.083505050e+00 3.083505050e+00 1.96 2.459012651e+00 2.459012651e+00 1.98 1.883948706e+00 1.883948706e+00 2.00 1.353394242e+00 1.353394242e+00 2.02 8.628676618e-01 8.628676618e-01 2.04 4.085415818e-01 4.085415818e-01 2.06 -1.268185102e-02 -1.268185102e-02 2.08 -4.032430882e-01 -4.032430882e-01 2.10 -7.650881935e-01 -7.650881935e-01 2.12 -1.099849297e+00 -1.099849297e+00 2.14 -1.408991684e+00 -1.408991684e+00 2.16 -1.693908414e+00 -1.693908414e+00 2.18 -1.955965481e+00 -1.955965481e+00 2.20 -2.196510621e+00 -2.196510621e+00 2.22 -2.416861365e+00 -2.416861365e+00 2.24 -2.618285356e+00 -2.618285356e+00 2.26 -2.801981187e+00 -2.801981187e+00 2.28 -2.969063943e+00 -2.969063943e+00 2.30 -3.120557170e+00 -3.120557170e+00 2.32 -3.257391250e+00 -3.257391250e+00 2.34 -3.380405313e+00 -3.380405313e+00 2.36 -3.490349925e+00 -3.490349925e+00 2.38 -3.587890085e+00 -3.587890085e+00 2.40 -3.673612453e+00 -3.673612453e+00 2.42 -3.748042339e+00 -3.748042339e+00 2.44 -3.811668645e+00 -3.811668645e+00 2.46 -3.864978476e+00 -3.864978476e+00 2.48 -3.908490816e+00 -3.908490816e+00 2.50 -3.942781718e+00 -3.942781718e+00 2.52 -3.968499737e+00 -3.968499737e+00 2.54 -3.986371931e+00 -3.986371931e+00 2.56 -3.997201216e+00 -3.997201216e+00 2.58 -4.001815464e+00 -4.001815464e+00 2.60 -4.001573686e+00 -4.001573686e+00 2.62 -3.998094547e+00 -3.998094547e+00 2.64 -3.991487882e+00 -3.991487882e+00 2.66 -3.981885611e+00 -3.981885611e+00 2.68 -3.969422248e+00 -3.969422248e+00 2.70 -3.954195809e+00 -3.954195809e+00 2.72 -3.936256029e+00 -3.936256029e+00 2.74 -3.915612744e+00 -3.915612744e+00 2.76 -3.892234589e+00 -3.892234589e+00 2.78 -3.866045361e+00 -3.866045361e+00 2.80 -3.836995396e+00 -3.836995396e+00 2.82 -3.805058938e+00 -3.805058938e+00 2.84 -3.770229386e+00 -3.770229386e+00 2.86 -3.732515207e+00 -3.732515207e+00 2.88 -3.691937535e+00 -3.691937535e+00 2.90 -3.648529966e+00 -3.648529966e+00 2.92 -3.602340814e+00 -3.602340814e+00 2.94 -3.553438108e+00 -3.553438108e+00 2.96 -3.501917255e+00 -3.501917255e+00 2.98 -3.447910627e+00 -3.447910627e+00 3.00 -3.391597179e+00 -3.391597179e+00 3.02 -3.333209214e+00 -3.333209214e+00 3.04 -3.273033045e+00 -3.273033045e+00 3.06 -3.211401217e+00 -3.211401217e+00 3.08 -3.148675829e+00 -3.148675829e+00 3.10 -3.085225721e+00 -3.085225721e+00 3.12 -3.021402082e+00 -3.021402082e+00 3.14 -2.957518096e+00 -2.957518096e+00 3.16 -2.893836525e+00 -2.893836525e+00 3.18 -2.830566928e+00 -2.830566928e+00 3.20 -2.767870997e+00 -2.767870997e+00 3.22 -2.705872952e+00 -2.705872952e+00 3.24 -2.644671397e+00 -2.644671397e+00 3.26 -2.584349681e+00 -2.584349681e+00 3.28 -2.524983014e+00 -2.524983014e+00 3.30 -2.466641853e+00 -2.466641853e+00 3.32 -2.409391996e+00 -2.409391996e+00 3.34 -2.353292434e+00 -2.353292434e+00 3.36 -2.298392175e+00 -2.298392175e+00 3.38 -2.244727149e+00 -2.244727149e+00 3.40 -2.192317980e+00 -2.192317980e+00 3.42 -2.141169096e+00 -2.141169096e+00 3.44 -2.091269168e+00 -2.091269168e+00 3.46 -2.042592750e+00 -2.042592750e+00 3.48 -1.995102735e+00 -1.995102735e+00 3.50 -1.948753224e+00 -1.948753224e+00 3.52 -1.903492470e+00 -1.903492470e+00 3.54 -1.859265630e+00 -1.859265630e+00 3.56 -1.816017130e+00 -1.816017130e+00 3.58 -1.773692574e+00 -1.773692574e+00 3.60 -1.732240156e+00 -1.732240156e+00 3.62 -1.691611619e+00 -1.691611619e+00 3.64 -1.651762812e+00 -1.651762812e+00 3.66 -1.612653947e+00 -1.612653947e+00 3.68 -1.574249669e+00 -1.574249669e+00 3.70 -1.536519017e+00 -1.536519017e+00 3.72 -1.499435401e+00 -1.499435401e+00 3.74 -1.462976622e+00 -1.462976622e+00 3.76 -1.427124958e+00 -1.427124958e+00 3.78 -1.391867269e+00 -1.391867269e+00 3.80 -1.357195023e+00 -1.357195023e+00 3.82 -1.323104117e+00 -1.323104117e+00 3.84 -1.289594341e+00 -1.289594341e+00 3.86 -1.256668400e+00 -1.256668400e+00 3.88 -1.224330454e+00 -1.224330454e+00 3.90 -1.192584271e+00 -1.192584271e+00 3.92 -1.161431162e+00 -1.161431162e+00 3.94 -1.130868035e+00 -1.130868035e+00 3.96 -1.100885721e+00 -1.100885721e+00 3.98 -1.071467972e+00 -1.071467972e+00 4.00 -1.042591143e+00 -1.042591143e+00 4.02 -1.014224630e+00 -1.014224630e+00 4.04 -9.863319549e-01 -9.863319549e-01 4.06 -9.588723728e-01 -9.588723728e-01 4.08 -9.318028295e-01 -9.318028295e-01 4.10 -9.050801139e-01 -9.050801139e-01 4.12 -8.786632146e-01 -8.786632146e-01 4.14 -8.525154984e-01 -8.525154984e-01 4.16 -8.266070476e-01 -8.266070476e-01 4.18 -8.009167543e-01 -8.009167543e-01 4.20 -7.754341845e-01 -7.754341845e-01 4.22 -7.501610395e-01 -7.501610395e-01 4.24 -7.251120375e-01 -7.251120375e-01 4.26 -7.003150377e-01 -7.003150377e-01 4.28 -6.758102716e-01 -6.758102716e-01 4.30 -6.516486238e-01 -6.516486238e-01 4.32 -6.278890256e-01 -6.278890256e-01 4.34 -6.045951494e-01 -6.045951494e-01 4.36 -5.818317059e-01 -5.818317059e-01 4.38 -5.596607034e-01 -5.596607034e-01 4.40 -5.381380270e-01 -5.381380270e-01 4.42 -5.173106174e-01 -5.173106174e-01 4.44 -4.972144169e-01 -4.972144169e-01 4.46 -4.778731157e-01 -4.778731157e-01 4.48 -4.592976318e-01 -4.592976318e-01 4.50 -4.414861921e-01 -4.414861921e-01 4.52 -4.244248717e-01 -4.244248717e-01 4.54 -4.080884715e-01 -4.080884715e-01 4.56 -3.924416452e-01 -3.924416452e-01 4.58 -3.774402232e-01 -3.774402232e-01 4.60 -3.630327182e-01 -3.630327182e-01 4.62 -3.491619330e-01 -3.491619330e-01 4.64 -3.357666651e-01 -3.357666651e-01 4.66 -3.227834507e-01 -3.227834507e-01 4.68 -3.101483538e-01 -3.101483538e-01 4.70 -2.977986867e-01 -2.977986867e-01 4.72 -2.856743456e-01 -2.856743456e-01 4.74 -2.737197584e-01 -2.737197584e-01 4.76 -2.618860685e-01 -2.618860685e-01 4.78 -2.501315073e-01 -2.501315073e-01 4.80 -2.384227746e-01 -2.384227746e-01 4.82 -2.267363233e-01 -2.267363233e-01 4.84 -2.150593074e-01 -2.150593074e-01 4.86 -2.033903753e-01 -2.033903753e-01 4.88 -1.917400436e-01 -1.917400436e-01 4.90 -1.801306361e-01 -1.801306361e-01 4.92 -1.685956950e-01 -1.685956950e-01 4.94 -1.571788067e-01 -1.571788067e-01 4.96 -1.459318352e-01 -1.459318352e-01 4.98 -1.349126131e-01 -1.349126131e-01 5.00 -1.241822096e-01 -1.241822096e-01 5.02 -1.138019545e-01 -1.138019545e-01 5.04 -1.038304377e-01 -1.038304377e-01 5.06 -9.432072080e-02 -9.432072080e-02 5.08 -8.531797504e-02 -8.531797504e-02 5.10 -7.685771486e-02 -7.685771486e-02 5.12 -6.896472454e-02 -6.896472454e-02 5.14 -6.165269877e-02 -6.165269877e-02 5.16 -5.492454472e-02 -5.492454472e-02 5.18 -4.877323631e-02 -4.877323631e-02 5.20 -4.318307643e-02 -4.318307643e-02 5.22 -3.813121103e-02 -3.813121103e-02 5.24 -3.358924731e-02 -3.358924731e-02 5.26 -2.952485085e-02 -2.952485085e-02 5.28 -2.590322755e-02 -2.590322755e-02 5.30 -2.268842073e-02 -2.268842073e-02 5.32 -1.984440311e-02 -1.984440311e-02 5.34 -1.733594446e-02 -1.733594446e-02 5.36 -1.512925930e-02 -1.512925930e-02 5.38 -1.319199278e-02 -1.319199278e-02 5.40 -1.149457160e-02 -1.149457160e-02 5.42 -1.001005914e-02 -1.001005914e-02 5.44 -8.713751334e-03 -8.713751334e-03 5.46 -7.583222899e-03 -7.583222899e-03 5.48 -6.598287205e-03 -6.598287205e-03 5.50 -5.740897913e-03 -5.740897913e-03 5.52 -4.995014074e-03 -4.995014074e-03 5.54 -4.346444873e-03 -4.346444873e-03 5.56 -3.782685787e-03 -3.782685787e-03 5.58 -3.292754405e-03 -3.292754405e-03 5.60 -2.867031528e-03 -2.867031528e-03 5.62 -2.497111063e-03 -2.497111063e-03 5.64 -2.175660802e-03 -2.175660802e-03 5.66 -1.896295074e-03 -1.896295074e-03 5.68 -1.653459518e-03 -1.653459518e-03 5.70 -1.442327719e-03 -1.442327719e-03 5.72 -1.258709148e-03 -1.258709148e-03 5.74 -1.098967618e-03 -1.098967618e-03 5.76 -9.599493957e-04 -9.599493957e-04 5.78 -8.389200717e-04 -8.389200717e-04 5.80 -7.335092955e-04 -7.335092955e-04 5.82 -6.416625179e-04 -6.416625179e-04 5.84 -5.615989474e-04 -5.615989474e-04 5.86 -4.917749810e-04 -4.917749810e-04 5.88 -4.308524457e-04 -4.308524457e-04 5.90 -3.776710466e-04 -3.776710466e-04 5.92 -3.312244899e-04 -3.312244899e-04 5.94 -2.906398034e-04 -2.906398034e-04 5.96 -2.551594366e-04 -2.551594366e-04 5.98 -2.241257751e-04 -2.241257751e-04 6.00 -1.969677455e-04 -1.969677455e-04