# 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 = Ag2NiTa # 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 2.640183255e+02 2.640183255e+02 1.30 2.442563539e+02 2.442563539e+02 1.32 2.259865539e+02 2.259865539e+02 1.34 2.090865677e+02 2.090865677e+02 1.36 1.934464115e+02 1.934464115e+02 1.38 1.789676755e+02 1.789676755e+02 1.40 1.655615901e+02 1.655615901e+02 1.42 1.531469035e+02 1.531469035e+02 1.44 1.416481009e+02 1.416481009e+02 1.46 1.309941553e+02 1.309941553e+02 1.48 1.211180108e+02 1.211180108e+02 1.50 1.119567971e+02 1.119567971e+02 1.52 1.034524042e+02 1.034524042e+02 1.54 9.555193160e+01 9.555193160e+01 1.56 8.820775252e+01 8.820775252e+01 1.58 8.137721457e+01 8.137721457e+01 1.60 7.502213600e+01 7.502213600e+01 1.62 6.910823130e+01 6.910823130e+01 1.64 6.360451838e+01 6.360451838e+01 1.66 5.848273545e+01 5.848273545e+01 1.68 5.371684380e+01 5.371684380e+01 1.70 4.928492533e+01 4.928492533e+01 1.72 4.516807356e+01 4.516807356e+01 1.74 4.134476072e+01 4.134476072e+01 1.76 3.779475341e+01 3.779475341e+01 1.78 3.450027373e+01 3.450027373e+01 1.80 3.144541036e+01 3.144541036e+01 1.82 2.861355492e+01 2.861355492e+01 1.84 2.598931805e+01 2.598931805e+01 1.86 2.355846830e+01 2.355846830e+01 1.88 2.130777975e+01 2.130777975e+01 1.90 1.922486397e+01 1.922486397e+01 1.92 1.729803173e+01 1.729803173e+01 1.94 1.551620412e+01 1.551620412e+01 1.96 1.386887085e+01 1.386887085e+01 1.98 1.234608319e+01 1.234608319e+01 2.00 1.093847093e+01 1.093847093e+01 2.02 9.637278053e+00 9.637278053e+00 2.04 8.434410976e+00 8.434410976e+00 2.06 7.322482368e+00 7.322482368e+00 2.08 6.294826384e+00 6.294826384e+00 2.10 5.345469849e+00 5.345469849e+00 2.12 4.469062479e+00 4.469062479e+00 2.14 3.660783676e+00 3.660783676e+00 2.16 2.916246141e+00 2.916246141e+00 2.18 2.231410135e+00 2.231410135e+00 2.20 1.602513168e+00 1.602513168e+00 2.22 1.026013194e+00 1.026013194e+00 2.24 4.985411492e-01 4.985411492e-01 2.26 1.685992817e-02 1.685992817e-02 2.28 -4.221704973e-01 -4.221704973e-01 2.30 -8.216192886e-01 -8.216192886e-01 2.32 -1.184497128e+00 -1.184497128e+00 2.34 -1.513662409e+00 -1.513662409e+00 2.36 -1.811929441e+00 -1.811929441e+00 2.38 -2.082228078e+00 -2.082228078e+00 2.40 -2.327236508e+00 -2.327236508e+00 2.42 -2.549331696e+00 -2.549331696e+00 2.44 -2.750577594e+00 -2.750577594e+00 2.46 -2.932671412e+00 -2.932671412e+00 2.48 -3.096731430e+00 -3.096731430e+00 2.50 -3.243725737e+00 -3.243725737e+00 2.52 -3.374623269e+00 -3.374623269e+00 2.54 -3.490388142e+00 -3.490388142e+00 2.56 -3.591978814e+00 -3.591978814e+00 2.58 -3.680349038e+00 -3.680349038e+00 2.60 -3.756447199e+00 -3.756447199e+00 2.62 -3.821208536e+00 -3.821208536e+00 2.64 -3.875542555e+00 -3.875542555e+00 2.66 -3.920318303e+00 -3.920318303e+00 2.68 -3.956347902e+00 -3.956347902e+00 2.70 -3.984375926e+00 -3.984375926e+00 2.72 -4.005076598e+00 -4.005076598e+00 2.74 -4.019057341e+00 -4.019057341e+00 2.76 -4.026827219e+00 -4.026827219e+00 2.78 -4.028733879e+00 -4.028733879e+00 2.80 -4.025089433e+00 -4.025089433e+00 2.82 -4.016196413e+00 -4.016196413e+00 2.84 -4.002345176e+00 -4.002345176e+00 2.86 -3.983812611e+00 -3.983812611e+00 2.88 -3.960862285e+00 -3.960862285e+00 2.90 -3.933745627e+00 -3.933745627e+00 2.92 -3.902703560e+00 -3.902703560e+00 2.94 -3.867968183e+00 -3.867968183e+00 2.96 -3.829764296e+00 -3.829764296e+00 2.98 -3.788340204e+00 -3.788340204e+00 3.00 -3.744076272e+00 -3.744076272e+00 3.02 -3.697055361e+00 -3.697055361e+00 3.04 -3.647327639e+00 -3.647327639e+00 3.06 -3.594970791e+00 -3.594970791e+00 3.08 -3.540085173e+00 -3.540085173e+00 3.10 -3.482788970e+00 -3.482788970e+00 3.12 -3.423213822e+00 -3.423213822e+00 3.14 -3.361501636e+00 -3.361501636e+00 3.16 -3.297805597e+00 -3.297805597e+00 3.18 -3.232299144e+00 -3.232299144e+00 3.20 -3.165167637e+00 -3.165167637e+00 3.22 -3.096607592e+00 -3.096607592e+00 3.24 -3.026829947e+00 -3.026829947e+00 3.26 -2.956061878e+00 -2.956061878e+00 3.28 -2.884546295e+00 -2.884546295e+00 3.30 -2.812538507e+00 -2.812538507e+00 3.32 -2.740300058e+00 -2.740300058e+00 3.34 -2.668090213e+00 -2.668090213e+00 3.36 -2.596156026e+00 -2.596156026e+00 3.38 -2.524722184e+00 -2.524722184e+00 3.40 -2.453981878e+00 -2.453981878e+00 3.42 -2.384089779e+00 -2.384089779e+00 3.44 -2.315157807e+00 -2.315157807e+00 3.46 -2.247253995e+00 -2.247253995e+00 3.48 -2.180404251e+00 -2.180404251e+00 3.50 -2.114596572e+00 -2.114596572e+00 3.52 -2.049787043e+00 -2.049787043e+00 3.54 -1.985906960e+00 -1.985906960e+00 3.56 -1.922870465e+00 -1.922870465e+00 3.58 -1.860582262e+00 -1.860582262e+00 3.60 -1.798945084e+00 -1.798945084e+00 3.62 -1.737866769e+00 -1.737866769e+00 3.64 -1.677266839e+00 -1.677266839e+00 3.66 -1.617082532e+00 -1.617082532e+00 3.68 -1.557274220e+00 -1.557274220e+00 3.70 -1.497830077e+00 -1.497830077e+00 3.72 -1.438769784e+00 -1.438769784e+00 3.74 -1.380146988e+00 -1.380146988e+00 3.76 -1.322050165e+00 -1.322050165e+00 3.78 -1.264601559e+00 -1.264601559e+00 3.80 -1.207953939e+00 -1.207953939e+00 3.82 -1.152285051e+00 -1.152285051e+00 3.84 -1.097789913e+00 -1.097789913e+00 3.86 -1.044671329e+00 -1.044671329e+00 3.88 -9.931293042e-01 -9.931293042e-01 3.90 -9.433502655e-01 -9.433502655e-01 3.92 -8.954970666e-01 -8.954970666e-01 3.94 -8.497007510e-01 -8.497007510e-01 3.96 -8.060547914e-01 -8.060547914e-01 3.98 -7.646122293e-01 -7.646122293e-01 4.00 -7.253857223e-01 -7.253857223e-01 4.02 -6.883501665e-01 -6.883501665e-01 4.04 -6.534473079e-01 -6.534473079e-01 4.06 -6.205916329e-01 -6.205916329e-01 4.08 -5.896768434e-01 -5.896768434e-01 4.10 -5.605823226e-01 -5.605823226e-01 4.12 -5.331791720e-01 -5.331791720e-01 4.14 -5.073355093e-01 -5.073355093e-01 4.16 -4.829209481e-01 -4.829209481e-01 4.18 -4.598101943e-01 -4.598101943e-01 4.20 -4.378858156e-01 -4.378858156e-01 4.22 -4.170402527e-01 -4.170402527e-01 4.24 -3.971771551e-01 -3.971771551e-01 4.26 -3.782121175e-01 -3.782121175e-01 4.28 -3.600728871e-01 -3.600728871e-01 4.30 -3.426991063e-01 -3.426991063e-01 4.32 -3.260416589e-01 -3.260416589e-01 4.34 -3.100616911e-01 -3.100616911e-01 4.36 -2.947293877e-01 -2.947293877e-01 4.38 -2.800225839e-01 -2.800225839e-01 4.40 -2.659252867e-01 -2.659252867e-01 4.42 -2.524261642e-01 -2.524261642e-01 4.44 -2.395170448e-01 -2.395170448e-01 4.46 -2.271914531e-01 -2.271914531e-01 4.48 -2.154432076e-01 -2.154432076e-01 4.50 -2.042651147e-01 -2.042651147e-01 4.52 -1.936478088e-01 -1.936478088e-01 4.54 -1.835788033e-01 -1.835788033e-01 4.56 -1.740418223e-01 -1.740418223e-01 4.58 -1.650164628e-01 -1.650164628e-01 4.60 -1.564782145e-01 -1.564782145e-01 4.62 -1.483988143e-01 -1.483988143e-01 4.64 -1.407468972e-01 -1.407468972e-01 4.66 -1.334888537e-01 -1.334888537e-01 4.68 -1.265896227e-01 -1.265896227e-01 4.70 -1.200136362e-01 -1.200136362e-01 4.72 -1.137269410e-01 -1.137269410e-01 4.74 -1.076970236e-01 -1.076970236e-01 4.76 -1.018935979e-01 -1.018935979e-01 4.78 -9.628934172e-02 -9.628934172e-02 4.80 -9.086047912e-02 -9.086047912e-02 4.82 -8.558722747e-02 -8.558722747e-02 4.84 -8.045410041e-02 -8.045410041e-02 4.86 -7.545009412e-02 -7.545009412e-02 4.88 -7.056873231e-02 -7.056873231e-02 4.90 -6.580796768e-02 -6.580796768e-02 4.92 -6.116992607e-02 -6.116992607e-02 4.94 -5.666048430e-02 -5.666048430e-02 4.96 -5.228868139e-02 -5.228868139e-02 4.98 -4.806597654e-02 -4.806597654e-02 5.00 -4.400538503e-02 -4.400538503e-02 5.02 -4.012053430e-02 -4.012053430e-02 5.04 -3.642470693e-02 -3.642470693e-02 5.06 -3.292993629e-02 -3.292993629e-02 5.08 -2.964621707e-02 -2.964621707e-02 5.10 -2.658089009e-02 -2.658089009e-02 5.12 -2.373823322e-02 -2.373823322e-02 5.14 -2.111927233e-02 -2.111927233e-02 5.16 -1.872181110e-02 -1.872181110e-02 5.18 -1.654064824e-02 -1.654064824e-02 5.20 -1.456778839e-02 -1.456778839e-02 5.22 -1.279297041e-02 -1.279297041e-02 5.24 -1.120474897e-02 -1.120474897e-02 5.26 -9.790435117e-03 -9.790435117e-03 5.28 -8.536587660e-03 -8.536587660e-03 5.30 -7.429473232e-03 -7.429473232e-03 5.32 -6.455451209e-03 -6.455451209e-03 5.34 -5.601279016e-03 -5.601279016e-03 5.36 -4.854340215e-03 -4.854340215e-03 5.38 -4.202802453e-03 -4.202802453e-03 5.40 -3.635714987e-03 -3.635714987e-03 5.42 -3.143056535e-03 -3.143056535e-03 5.44 -2.715744082e-03 -2.715744082e-03 5.46 -2.345612416e-03 -2.345612416e-03 5.48 -2.025372874e-03 -2.025372874e-03 5.50 -1.748558393e-03 -1.748558393e-03 5.52 -1.509460490e-03 -1.509460490e-03 5.54 -1.303062533e-03 -1.303062533e-03 5.56 -1.124972546e-03 -1.124972546e-03 5.58 -9.713578021e-04 -9.713578021e-04 5.60 -8.388827696e-04 -8.388827696e-04 5.62 -7.246513352e-04 -7.246513352e-04 5.64 -6.261538195e-04 -6.261538195e-04 5.66 -5.412189599e-04 -5.412189599e-04 5.68 -4.679708163e-04 -4.679708163e-04 5.70 -4.047903995e-04 -4.047903995e-04 5.72 -3.502817285e-04 -3.502817285e-04 5.74 -3.032419676e-04 -3.032419676e-04 5.76 -2.626352718e-04 -2.626352718e-04 5.78 -2.275699670e-04 -2.275699670e-04 5.80 -1.972787013e-04 -1.972787013e-04 5.82 -1.711012282e-04 -1.711012282e-04 5.84 -1.484695032e-04 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