# 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 = FePbTi2 # 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 3.121488994e+02 3.121488994e+02 1.30 2.894983183e+02 2.894983183e+02 1.32 2.685441633e+02 2.685441633e+02 1.34 2.491483342e+02 2.491483342e+02 1.36 2.311823899e+02 2.311823899e+02 1.38 2.145286299e+02 2.145286299e+02 1.40 1.990809252e+02 1.990809252e+02 1.42 1.847444370e+02 1.847444370e+02 1.44 1.714343413e+02 1.714343413e+02 1.46 1.590741112e+02 1.590741112e+02 1.48 1.475938951e+02 1.475938951e+02 1.50 1.369293129e+02 1.369293129e+02 1.52 1.270206846e+02 1.270206846e+02 1.54 1.178125206e+02 1.178125206e+02 1.56 1.092531814e+02 1.092531814e+02 1.58 1.012946523e+02 1.012946523e+02 1.60 9.389242230e+01 9.389242230e+01 1.62 8.700549426e+01 8.700549426e+01 1.64 8.059637261e+01 8.059637261e+01 1.66 7.463083243e+01 7.463083243e+01 1.68 6.907743277e+01 6.907743277e+01 1.70 6.390701694e+01 6.390701694e+01 1.72 5.909236010e+01 5.909236010e+01 1.74 5.460797709e+01 5.460797709e+01 1.76 5.043001993e+01 5.043001993e+01 1.78 4.653654807e+01 4.653654807e+01 1.80 4.290962064e+01 4.290962064e+01 1.82 3.953474055e+01 3.953474055e+01 1.84 3.639403367e+01 3.639403367e+01 1.86 3.347111406e+01 3.347111406e+01 1.88 3.075100375e+01 3.075100375e+01 1.90 2.821989749e+01 2.821989749e+01 1.92 2.586495942e+01 2.586495942e+01 1.94 2.367416918e+01 2.367416918e+01 1.96 2.163621195e+01 2.163621195e+01 1.98 1.974041491e+01 1.974041491e+01 2.00 1.797671302e+01 1.797671302e+01 2.02 1.633563930e+01 1.633563930e+01 2.04 1.480833416e+01 1.480833416e+01 2.06 1.338657574e+01 1.338657574e+01 2.08 1.206282069e+01 1.206282069e+01 2.10 1.083023371e+01 1.083023371e+01 2.12 9.682671622e+00 9.682671622e+00 2.14 8.614611031e+00 8.614611031e+00 2.16 7.621038934e+00 7.621038934e+00 2.18 6.697335981e+00 6.697335981e+00 2.20 5.839173511e+00 5.839173511e+00 2.22 5.042440298e+00 5.042440298e+00 2.24 4.303199387e+00 4.303199387e+00 2.26 3.617676139e+00 3.617676139e+00 2.28 2.982266540e+00 2.982266540e+00 2.30 2.393562839e+00 2.393562839e+00 2.32 1.848364160e+00 1.848364160e+00 2.34 1.343686657e+00 1.343686657e+00 2.36 8.767551883e-01 8.767551883e-01 2.38 4.449944500e-01 4.449944500e-01 2.40 4.601760948e-02 4.601760948e-02 2.42 -3.223857671e-01 -3.223857671e-01 2.44 -6.622635681e-01 -6.622635681e-01 2.46 -9.755157438e-01 -9.755157438e-01 2.48 -1.263909829e+00 -1.263909829e+00 2.50 -1.529095567e+00 -1.529095567e+00 2.52 -1.772616921e+00 -1.772616921e+00 2.54 -1.995920245e+00 -1.995920245e+00 2.56 -2.200358790e+00 -2.200358790e+00 2.58 -2.387195146e+00 -2.387195146e+00 2.60 -2.557603510e+00 -2.557603510e+00 2.62 -2.712706034e+00 -2.712706034e+00 2.64 -2.853591115e+00 -2.853591115e+00 2.66 -2.981085702e+00 -2.981085702e+00 2.68 -3.095955873e+00 -3.095955873e+00 2.70 -3.198923208e+00 -3.198923208e+00 2.72 -3.290662957e+00 -3.290662957e+00 2.74 -3.371803350e+00 -3.371803350e+00 2.76 -3.442926671e+00 -3.442926671e+00 2.78 -3.504559276e+00 -3.504559276e+00 2.80 -3.557038024e+00 -3.557038024e+00 2.82 -3.600605461e+00 -3.600605461e+00 2.84 -3.635535223e+00 -3.635535223e+00 2.86 -3.662136301e+00 -3.662136301e+00 2.88 -3.680757974e+00 -3.680757974e+00 2.90 -3.691781861e+00 -3.691781861e+00 2.92 -3.695622468e+00 -3.695622468e+00 2.94 -3.692723747e+00 -3.692723747e+00 2.96 -3.683550982e+00 -3.683550982e+00 2.98 -3.668582306e+00 -3.668582306e+00 3.00 -3.648300727e+00 -3.648300727e+00 3.02 -3.623186575e+00 -3.623186575e+00 3.04 -3.593706371e+00 -3.593706371e+00 3.06 -3.560247147e+00 -3.560247147e+00 3.08 -3.523122177e+00 -3.523122177e+00 3.10 -3.482636804e+00 -3.482636804e+00 3.12 -3.439085221e+00 -3.439085221e+00 3.14 -3.392752343e+00 -3.392752343e+00 3.16 -3.343911507e+00 -3.343911507e+00 3.18 -3.292831904e+00 -3.292831904e+00 3.20 -3.239781718e+00 -3.239781718e+00 3.22 -3.185030510e+00 -3.185030510e+00 3.24 -3.128849269e+00 -3.128849269e+00 3.26 -3.071528388e+00 -3.071528388e+00 3.28 -3.013340083e+00 -3.013340083e+00 3.30 -2.954512048e+00 -2.954512048e+00 3.32 -2.895263206e+00 -2.895263206e+00 3.34 -2.835797693e+00 -2.835797693e+00 3.36 -2.776299967e+00 -2.776299967e+00 3.38 -2.716931673e+00 -2.716931673e+00 3.40 -2.657830387e+00 -2.657830387e+00 3.42 -2.599111260e+00 -2.599111260e+00 3.44 -2.540867756e+00 -2.540867756e+00 3.46 -2.483172084e+00 -2.483172084e+00 3.48 -2.426085184e+00 -2.426085184e+00 3.50 -2.369664465e+00 -2.369664465e+00 3.52 -2.313967307e+00 -2.313967307e+00 3.54 -2.259052639e+00 -2.259052639e+00 3.56 -2.204980148e+00 -2.204980148e+00 3.58 -2.151807341e+00 -2.151807341e+00 3.60 -2.099585348e+00 -2.099585348e+00 3.62 -2.048354732e+00 -2.048354732e+00 3.64 -1.998142531e+00 -1.998142531e+00 3.66 -1.948961284e+00 -1.948961284e+00 3.68 -1.900810146e+00 -1.900810146e+00 3.70 -1.853677590e+00 -1.853677590e+00 3.72 -1.807544868e+00 -1.807544868e+00 3.74 -1.762389422e+00 -1.762389422e+00 3.76 -1.718187676e+00 -1.718187676e+00 3.78 -1.674916921e+00 -1.674916921e+00 3.80 -1.632556334e+00 -1.632556334e+00 3.82 -1.591087291e+00 -1.591087291e+00 3.84 -1.550493237e+00 -1.550493237e+00 3.86 -1.510759338e+00 -1.510759338e+00 3.88 -1.471872086e+00 -1.471872086e+00 3.90 -1.433818944e+00 -1.433818944e+00 3.92 -1.396587659e+00 -1.396587659e+00 3.94 -1.360167778e+00 -1.360167778e+00 3.96 -1.324547781e+00 -1.324547781e+00 3.98 -1.289716867e+00 -1.289716867e+00 4.00 -1.255664338e+00 -1.255664338e+00 4.02 -1.222379489e+00 -1.222379489e+00 4.04 -1.189851513e+00 -1.189851513e+00 4.06 -1.158069395e+00 -1.158069395e+00 4.08 -1.127021826e+00 -1.127021826e+00 4.10 -1.096695815e+00 -1.096695815e+00 4.12 -1.067082119e+00 -1.067082119e+00 4.14 -1.038166573e+00 -1.038166573e+00 4.16 -1.009936146e+00 -1.009936146e+00 4.18 -9.823773479e-01 -9.823773479e-01 4.20 -9.554762744e-01 -9.554762744e-01 4.22 -9.292186769e-01 -9.292186769e-01 4.24 -9.035900555e-01 -9.035900555e-01 4.26 -8.785757721e-01 -8.785757721e-01 4.28 -8.541611775e-01 -8.541611775e-01 4.30 -8.303317461e-01 -8.303317461e-01 4.32 -8.070732094e-01 -8.070732094e-01 4.34 -7.843716790e-01 -7.843716790e-01 4.36 -7.622137516e-01 -7.622137516e-01 4.38 -7.405865874e-01 -7.405865874e-01 4.40 -7.194779568e-01 -7.194779568e-01 4.42 -6.988762508e-01 -6.988762508e-01 4.44 -6.787704578e-01 -6.787704578e-01 4.46 -6.591501065e-01 -6.591501065e-01 4.48 -6.400051819e-01 -6.400051819e-01 4.50 -6.213260212e-01 -6.213260212e-01 4.52 -6.031031979e-01 -6.031031979e-01 4.54 -5.853274015e-01 -5.853274015e-01 4.56 -5.679893219e-01 -5.679893219e-01 4.58 -5.510795438e-01 -5.510795438e-01 4.60 -5.345884571e-01 -5.345884571e-01 4.62 -5.185061874e-01 -5.185061874e-01 4.64 -5.028225493e-01 -5.028225493e-01 4.66 -4.875270251e-01 -4.875270251e-01 4.68 -4.726087700e-01 -4.726087700e-01 4.70 -4.580566471e-01 -4.580566471e-01 4.72 -4.438592929e-01 -4.438592929e-01 4.74 -4.300052161e-01 -4.300052161e-01 4.76 -4.164829307e-01 -4.164829307e-01 4.78 -4.032811262e-01 -4.032811262e-01 4.80 -3.903880762e-01 -3.903880762e-01 4.82 -3.777951949e-01 -3.777951949e-01 4.84 -3.654921183e-01 -3.654921183e-01 4.86 -3.534706008e-01 -3.534706008e-01 4.88 -3.417238454e-01 -3.417238454e-01 4.90 -3.302467563e-01 -3.302467563e-01 4.92 -3.190361324e-01 -3.190361324e-01 4.94 -3.080907701e-01 -3.080907701e-01 4.96 -2.974114422e-01 -2.974114422e-01 4.98 -2.870007281e-01 -2.870007281e-01 5.00 -2.768626863e-01 -2.768626863e-01 5.02 -2.670023770e-01 -2.670023770e-01 5.04 -2.574252700e-01 -2.574252700e-01 5.06 -2.481365889e-01 -2.481365889e-01 5.08 -2.391406613e-01 -2.391406613e-01 5.10 -2.304403434e-01 -2.304403434e-01 5.12 -2.220365809e-01 -2.220365809e-01 5.14 -2.139281447e-01 -2.139281447e-01 5.16 -2.061115545e-01 -2.061115545e-01 5.18 -1.985811761e-01 -1.985811761e-01 5.20 -1.913294549e-01 -1.913294549e-01 5.22 -1.843472384e-01 -1.843472384e-01 5.24 -1.776241358e-01 -1.776241358e-01 5.26 -1.711488685e-01 -1.711488685e-01 5.28 -1.649095792e-01 -1.649095792e-01 5.30 -1.588940802e-01 -1.588940802e-01 5.32 -1.530900346e-01 -1.530900346e-01 5.34 -1.474850757e-01 -1.474850757e-01 5.36 -1.420668780e-01 -1.420668780e-01 5.38 -1.368231964e-01 -1.368231964e-01 5.40 -1.317418890e-01 -1.317418890e-01 5.42 -1.268109411e-01 -1.268109411e-01 5.44 -1.220185003e-01 -1.220185003e-01 5.46 -1.173529327e-01 -1.173529327e-01 5.48 -1.128029038e-01 -1.128029038e-01 5.50 -1.083574870e-01 -1.083574870e-01 5.52 -1.040062997e-01 -1.040062997e-01 5.54 -9.973966287e-02 -9.973966287e-02 5.56 -9.554878276e-02 -9.554878276e-02 5.58 -9.142594678e-02 -9.142594678e-02 5.60 -8.736472764e-02 -8.736472764e-02 5.62 -8.336018498e-02 -8.336018498e-02 5.64 -7.940905181e-02 -7.940905181e-02 5.66 -7.550989139e-02 -7.550989139e-02 5.68 -7.166320476e-02 -7.166320476e-02 5.70 -6.787147474e-02 -6.787147474e-02 5.72 -6.413912722e-02 -6.413912722e-02 5.74 -6.047239678e-02 -6.047239678e-02 5.76 -5.687909049e-02 -5.687909049e-02 5.78 -5.336825375e-02 -5.336825375e-02 5.80 -4.994974831e-02 -4.994974831e-02 5.82 -4.663376831e-02 -4.663376831e-02 5.84 -4.343033108e-02 -4.343033108e-02 5.86 -4.034877802e-02 -4.034877802e-02 5.88 -3.739732610e-02 -3.739732610e-02 5.90 -3.458270474e-02 -3.458270474e-02 5.92 -3.190969972e-02 -3.190969972e-02 5.94 -2.938082974e-02 -2.938082974e-02 5.96 -2.699762080e-02 -2.699762080e-02 5.98 -2.475988495e-02 -2.475988495e-02 6.00 -2.266573925e-02 -2.266573925e-02