# 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 = NiPbTa2 # 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 3.640493749e+02 3.640493749e+02 1.30 3.388775901e+02 3.388775901e+02 1.32 3.155269699e+02 3.155269699e+02 1.34 2.938550688e+02 2.938550688e+02 1.36 2.737274757e+02 2.737274757e+02 1.38 2.550189983e+02 2.550189983e+02 1.40 2.376151966e+02 2.376151966e+02 1.42 2.214128440e+02 2.214128440e+02 1.44 2.063190662e+02 2.063190662e+02 1.46 1.922498149e+02 1.922498149e+02 1.48 1.791285644e+02 1.791285644e+02 1.50 1.668855705e+02 1.668855705e+02 1.52 1.554573962e+02 1.554573962e+02 1.54 1.447862251e+02 1.447862251e+02 1.56 1.348188813e+02 1.348188813e+02 1.58 1.255058935e+02 1.255058935e+02 1.60 1.168009920e+02 1.168009920e+02 1.62 1.086611060e+02 1.086611060e+02 1.64 1.010465532e+02 1.010465532e+02 1.66 9.392108844e+01 9.392108844e+01 1.68 8.725167201e+01 8.725167201e+01 1.70 8.100807454e+01 8.100807454e+01 1.72 7.516243944e+01 7.516243944e+01 1.74 6.968887497e+01 6.968887497e+01 1.76 6.456309283e+01 6.456309283e+01 1.78 5.976213463e+01 5.976213463e+01 1.80 5.526424806e+01 5.526424806e+01 1.82 5.104891593e+01 5.104891593e+01 1.84 4.709913824e+01 4.709913824e+01 1.86 4.340431023e+01 4.340431023e+01 1.88 3.994788324e+01 3.994788324e+01 1.90 3.671397877e+01 3.671397877e+01 1.92 3.369153781e+01 3.369153781e+01 1.94 3.087116385e+01 3.087116385e+01 1.96 2.824034124e+01 2.824034124e+01 1.98 2.578763154e+01 2.578763154e+01 2.00 2.350250770e+01 2.350250770e+01 2.02 2.137512877e+01 2.137512877e+01 2.04 1.939611623e+01 1.939611623e+01 2.06 1.755639771e+01 1.755639771e+01 2.08 1.584715020e+01 1.584715020e+01 2.10 1.425983610e+01 1.425983610e+01 2.12 1.278628748e+01 1.278628748e+01 2.14 1.141879516e+01 1.141879516e+01 2.16 1.015017055e+01 1.015017055e+01 2.18 8.973767177e+00 8.973767177e+00 2.20 7.883458497e+00 7.883458497e+00 2.22 6.873586258e+00 6.873586258e+00 2.24 5.938884923e+00 5.938884923e+00 2.26 5.074394994e+00 5.074394994e+00 2.28 4.275373308e+00 4.275373308e+00 2.30 3.537223027e+00 3.537223027e+00 2.32 2.855443812e+00 2.855443812e+00 2.34 2.225631718e+00 2.225631718e+00 2.36 1.643516561e+00 1.643516561e+00 2.38 1.105036903e+00 1.105036903e+00 2.40 6.064267432e-01 6.064267432e-01 2.42 1.442888426e-01 1.442888426e-01 2.44 -2.843669474e-01 -2.843669474e-01 2.46 -6.821243242e-01 -6.821243242e-01 2.48 -1.051195690e+00 -1.051195690e+00 2.50 -1.393477822e+00 -1.393477822e+00 2.52 -1.710536121e+00 -1.710536121e+00 2.54 -2.003692229e+00 -2.003692229e+00 2.56 -2.274459992e+00 -2.274459992e+00 2.58 -2.524217427e+00 -2.524217427e+00 2.60 -2.754223666e+00 -2.754223666e+00 2.62 -2.965648135e+00 -2.965648135e+00 2.64 -3.159592909e+00 -3.159592909e+00 2.66 -3.337102231e+00 -3.337102231e+00 2.68 -3.499149376e+00 -3.499149376e+00 2.70 -3.646399520e+00 -3.646399520e+00 2.72 -3.779372805e+00 -3.779372805e+00 2.74 -3.898630341e+00 -3.898630341e+00 2.76 -4.004754149e+00 -4.004754149e+00 2.78 -4.098326661e+00 -4.098326661e+00 2.80 -4.179914497e+00 -4.179914497e+00 2.82 -4.250058012e+00 -4.250058012e+00 2.84 -4.309266928e+00 -4.309266928e+00 2.86 -4.358021442e+00 -4.358021442e+00 2.88 -4.396775001e+00 -4.396775001e+00 2.90 -4.425962139e+00 -4.425962139e+00 2.92 -4.446003546e+00 -4.446003546e+00 2.94 -4.457309143e+00 -4.457309143e+00 2.96 -4.460279114e+00 -4.460279114e+00 2.98 -4.455303190e+00 -4.455303190e+00 3.00 -4.442758893e+00 -4.442758893e+00 3.02 -4.423009201e+00 -4.423009201e+00 3.04 -4.396363041e+00 -4.396363041e+00 3.06 -4.363059172e+00 -4.363059172e+00 3.08 -4.323335173e+00 -4.323335173e+00 3.10 -4.277439418e+00 -4.277439418e+00 3.12 -4.225634969e+00 -4.225634969e+00 3.14 -4.168210530e+00 -4.168210530e+00 3.16 -4.105483655e+00 -4.105483655e+00 3.18 -4.037813542e+00 -4.037813542e+00 3.20 -3.965607622e+00 -3.965607622e+00 3.22 -3.889326654e+00 -3.889326654e+00 3.24 -3.809486083e+00 -3.809486083e+00 3.26 -3.726652699e+00 -3.726652699e+00 3.28 -3.641435934e+00 -3.641435934e+00 3.30 -3.554473597e+00 -3.554473597e+00 3.32 -3.466412484e+00 -3.466412484e+00 3.34 -3.377885094e+00 -3.377885094e+00 3.36 -3.289484500e+00 -3.289484500e+00 3.38 -3.201739975e+00 -3.201739975e+00 3.40 -3.115096022e+00 -3.115096022e+00 3.42 -3.029897598e+00 -3.029897598e+00 3.44 -2.946381677e+00 -2.946381677e+00 3.46 -2.864677303e+00 -2.864677303e+00 3.48 -2.784812077e+00 -2.784812077e+00 3.50 -2.706740999e+00 -2.706740999e+00 3.52 -2.630354652e+00 -2.630354652e+00 3.54 -2.555414400e+00 -2.555414400e+00 3.56 -2.481644764e+00 -2.481644764e+00 3.58 -2.408754914e+00 -2.408754914e+00 3.60 -2.336454340e+00 -2.336454340e+00 3.62 -2.264467010e+00 -2.264467010e+00 3.64 -2.192534146e+00 -2.192534146e+00 3.66 -2.120407656e+00 -2.120407656e+00 3.68 -2.047885307e+00 -2.047885307e+00 3.70 -1.974825035e+00 -1.974825035e+00 3.72 -1.901153376e+00 -1.901153376e+00 3.74 -1.826872238e+00 -1.826872238e+00 3.76 -1.752063276e+00 -1.752063276e+00 3.78 -1.676889042e+00 -1.676889042e+00 3.80 -1.601590077e+00 -1.601590077e+00 3.82 -1.526477373e+00 -1.526477373e+00 3.84 -1.451920019e+00 -1.451920019e+00 3.86 -1.378328401e+00 -1.378328401e+00 3.88 -1.306133946e+00 -1.306133946e+00 3.90 -1.235766938e+00 -1.235766938e+00 3.92 -1.167633970e+00 -1.167633970e+00 3.94 -1.102099253e+00 -1.102099253e+00 3.96 -1.039465946e+00 -1.039465946e+00 3.98 -9.799665599e-01 -9.799665599e-01 4.00 -9.237570136e-01 -9.237570136e-01 4.02 -8.709166752e-01 -8.709166752e-01 4.04 -8.214531850e-01 -8.214531850e-01 4.06 -7.753108617e-01 -7.753108617e-01 4.08 -7.323813395e-01 -7.323813395e-01 4.10 -6.925137318e-01 -6.925137318e-01 4.12 -6.555320126e-01 -6.555320126e-01 4.14 -6.212362436e-01 -6.212362436e-01 4.16 -5.894183084e-01 -5.894183084e-01 4.18 -5.598677789e-01 -5.598677789e-01 4.20 -5.323779276e-01 -5.323779276e-01 4.22 -5.067502780e-01 -5.067502780e-01 4.24 -4.827978954e-01 -4.827978954e-01 4.26 -4.603476495e-01 -4.603476495e-01 4.28 -4.392416732e-01 -4.392416732e-01 4.30 -4.193382166e-01 -4.193382166e-01 4.32 -4.005120412e-01 -4.005120412e-01 4.34 -3.826544646e-01 -3.826544646e-01 4.36 -3.656731201e-01 -3.656731201e-01 4.38 -3.494914173e-01 -3.494914173e-01 4.40 -3.340476882e-01 -3.340476882e-01 4.42 -3.192940015e-01 -3.192940015e-01 4.44 -3.051945676e-01 -3.051945676e-01 4.46 -2.917232367e-01 -2.917232367e-01 4.48 -2.788629241e-01 -2.788629241e-01 4.50 -2.666022888e-01 -2.666022888e-01 4.52 -2.549329580e-01 -2.549329580e-01 4.54 -2.438473517e-01 -2.438473517e-01 4.56 -2.333367920e-01 -2.333367920e-01 4.58 -2.233900571e-01 -2.233900571e-01 4.60 -2.139924714e-01 -2.139924714e-01 4.62 -2.051255431e-01 -2.051255431e-01 4.64 -1.967670909e-01 -1.967670909e-01 4.66 -1.888917529e-01 -1.888917529e-01 4.68 -1.814717423e-01 -1.814717423e-01 4.70 -1.744777217e-01 -1.744777217e-01 4.72 -1.678796796e-01 -1.678796796e-01 4.74 -1.616477274e-01 -1.616477274e-01 4.76 -1.557527656e-01 -1.557527656e-01 4.78 -1.501669955e-01 -1.501669955e-01 4.80 -1.448634819e-01 -1.448634819e-01 4.82 -1.398196824e-01 -1.398196824e-01 4.84 -1.350123691e-01 -1.350123691e-01 4.86 -1.304212506e-01 -1.304212506e-01 4.88 -1.260279672e-01 -1.260279672e-01 4.90 -1.218159895e-01 -1.218159895e-01 4.92 -1.177704925e-01 -1.177704925e-01 4.94 -1.138782168e-01 -1.138782168e-01 4.96 -1.101273304e-01 -1.101273304e-01 4.98 -1.065072961e-01 -1.065072961e-01 5.00 -1.030087511e-01 -1.030087511e-01 5.02 -9.962340055e-02 -9.962340055e-02 5.04 -9.634392610e-02 -9.634392610e-02 5.06 -9.316390914e-02 -9.316390914e-02 5.08 -9.007776654e-02 -9.007776654e-02 5.10 -8.708069698e-02 -8.708069698e-02 5.12 -8.416863421e-02 -8.416863421e-02 5.14 -8.133820342e-02 -8.133820342e-02 5.16 -7.858667661e-02 -7.858667661e-02 5.18 -7.591192292e-02 -7.591192292e-02 5.20 -7.331235058e-02 -7.331235058e-02 5.22 -7.078683754e-02 -7.078683754e-02 5.24 -6.833464987e-02 -6.833464987e-02 5.26 -6.595533658e-02 -6.595533658e-02 5.28 -6.364856618e-02 -6.364856618e-02 5.30 -6.141419184e-02 -6.141419184e-02 5.32 -5.925206056e-02 -5.925206056e-02 5.34 -5.716188582e-02 -5.716188582e-02 5.36 -5.514315861e-02 -5.514315861e-02 5.38 -5.319507591e-02 -5.319507591e-02 5.40 -5.131649252e-02 -5.131649252e-02 5.42 -4.950589642e-02 -4.950589642e-02 5.44 -4.776140733e-02 -4.776140733e-02 5.46 -4.608079600e-02 -4.608079600e-02 5.48 -4.446152049e-02 -4.446152049e-02 5.50 -4.290077453e-02 -4.290077453e-02 5.52 -4.139554313e-02 -4.139554313e-02 5.54 -3.994266092e-02 -3.994266092e-02 5.56 -3.853886931e-02 -3.853886931e-02 5.58 -3.718086988e-02 -3.718086988e-02 5.60 -3.586537200e-02 -3.586537200e-02 5.62 -3.458913402e-02 -3.458913402e-02 5.64 -3.334899872e-02 -3.334899872e-02 5.66 -3.214192165e-02 -3.214192165e-02 5.68 -3.096499499e-02 -3.096499499e-02 5.70 -2.981546766e-02 -2.981546766e-02 5.72 -2.869076295e-02 -2.869076295e-02 5.74 -2.758849469e-02 -2.758849469e-02 5.76 -2.650648305e-02 -2.650648305e-02 5.78 -2.544277067e-02 -2.544277067e-02 5.80 -2.439563962e-02 -2.439563962e-02 5.82 -2.336362930e-02 -2.336362930e-02 5.84 -2.234555509e-02 -2.234555509e-02 5.86 -2.134052710e-02 -2.134052710e-02 5.88 -2.034796810e-02 -2.034796810e-02 5.90 -1.936762926e-02 -1.936762926e-02 5.92 -1.839960210e-02 -1.839960210e-02 5.94 -1.744430991e-02 -1.744430991e-02 5.96 -1.650245271e-02 -1.650245271e-02 5.98 -1.557515553e-02 -1.557515553e-02 6.00 -1.466387275e-02 -1.466387275e-02