# 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 = AuNi2Pd # 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 2.127522085e+02 2.127522085e+02 1.30 1.963674706e+02 1.963674706e+02 1.32 1.812163714e+02 1.812163714e+02 1.34 1.672027846e+02 1.672027846e+02 1.36 1.542388912e+02 1.542388912e+02 1.38 1.422425395e+02 1.422425395e+02 1.40 1.311365596e+02 1.311365596e+02 1.42 1.208491745e+02 1.208491745e+02 1.44 1.113145834e+02 1.113145834e+02 1.46 1.024733473e+02 1.024733473e+02 1.48 9.427236197e+01 9.427236197e+01 1.50 8.666427616e+01 8.666427616e+01 1.52 7.960627129e+01 7.960627129e+01 1.54 7.305845752e+01 7.305845752e+01 1.56 6.698261152e+01 6.698261152e+01 1.58 6.134181376e+01 6.134181376e+01 1.60 5.610090432e+01 5.610090432e+01 1.62 5.122728630e+01 5.122728630e+01 1.64 4.669154309e+01 4.669154309e+01 1.66 4.247330106e+01 4.247330106e+01 1.68 3.856666257e+01 3.856666257e+01 1.70 3.495975193e+01 3.495975193e+01 1.72 3.163011039e+01 3.163011039e+01 1.74 2.855703568e+01 2.855703568e+01 1.76 2.572159026e+01 2.572159026e+01 1.78 2.310661694e+01 2.310661694e+01 1.80 2.069660414e+01 2.069660414e+01 1.82 1.847734995e+01 1.847734995e+01 1.84 1.643558266e+01 1.643558266e+01 1.86 1.455869897e+01 1.455869897e+01 1.88 1.283464380e+01 1.283464380e+01 1.90 1.125188117e+01 1.125188117e+01 1.92 9.799423492e+00 9.799423492e+00 1.94 8.466901507e+00 8.466901507e+00 1.96 7.244645733e+00 7.244645733e+00 1.98 6.123746937e+00 6.123746937e+00 2.00 5.096078531e+00 5.096078531e+00 2.02 4.154278647e+00 4.154278647e+00 2.04 3.291697249e+00 3.291697249e+00 2.06 2.502319304e+00 2.502319304e+00 2.08 1.780679829e+00 1.780679829e+00 2.10 1.121786142e+00 1.121786142e+00 2.12 5.210551537e-01 5.210551537e-01 2.14 -2.573578702e-02 -2.573578702e-02 2.16 -5.224908541e-01 -5.224908541e-01 2.18 -9.728350895e-01 -9.728350895e-01 2.20 -1.380150458e+00 -1.380150458e+00 2.22 -1.747603840e+00 -1.747603840e+00 2.24 -2.078162635e+00 -2.078162635e+00 2.26 -2.374599007e+00 -2.374599007e+00 2.28 -2.639490942e+00 -2.639490942e+00 2.30 -2.875231319e+00 -2.875231319e+00 2.32 -3.084050854e+00 -3.084050854e+00 2.34 -3.268049395e+00 -3.268049395e+00 2.36 -3.429221806e+00 -3.429221806e+00 2.38 -3.569467139e+00 -3.569467139e+00 2.40 -3.690581230e+00 -3.690581230e+00 2.42 -3.794243374e+00 -3.794243374e+00 2.44 -3.882009097e+00 -3.882009097e+00 2.46 -3.955313687e+00 -3.955313687e+00 2.48 -4.015482707e+00 -4.015482707e+00 2.50 -4.063741662e+00 -4.063741662e+00 2.52 -4.101215752e+00 -4.101215752e+00 2.54 -4.128935781e+00 -4.128935781e+00 2.56 -4.147906422e+00 -4.147906422e+00 2.58 -4.159379252e+00 -4.159379252e+00 2.60 -4.163928106e+00 -4.163928106e+00 2.62 -4.161968387e+00 -4.161968387e+00 2.64 -4.153856140e+00 -4.153856140e+00 2.66 -4.139694523e+00 -4.139694523e+00 2.68 -4.119585458e+00 -4.119585458e+00 2.70 -4.093713558e+00 -4.093713558e+00 2.72 -4.062343694e+00 -4.062343694e+00 2.74 -4.025838500e+00 -4.025838500e+00 2.76 -3.984606259e+00 -3.984606259e+00 2.78 -3.939072114e+00 -3.939072114e+00 2.80 -3.889660363e+00 -3.889660363e+00 2.82 -3.836778916e+00 -3.836778916e+00 2.84 -3.780810160e+00 -3.780810160e+00 2.86 -3.722109350e+00 -3.722109350e+00 2.88 -3.661008745e+00 -3.661008745e+00 2.90 -3.597824018e+00 -3.597824018e+00 2.92 -3.532859480e+00 -3.532859480e+00 2.94 -3.466410103e+00 -3.466410103e+00 2.96 -3.398760189e+00 -3.398760189e+00 2.98 -3.330180045e+00 -3.330180045e+00 3.00 -3.260922509e+00 -3.260922509e+00 3.02 -3.191220701e+00 -3.191220701e+00 3.04 -3.121287364e+00 -3.121287364e+00 3.06 -3.051315305e+00 -3.051315305e+00 3.08 -2.981478079e+00 -2.981478079e+00 3.10 -2.911930402e+00 -2.911930402e+00 3.12 -2.842808260e+00 -2.842808260e+00 3.14 -2.774229098e+00 -2.774229098e+00 3.16 -2.706292517e+00 -2.706292517e+00 3.18 -2.639081693e+00 -2.639081693e+00 3.20 -2.572665425e+00 -2.572665425e+00 3.22 -2.507100500e+00 -2.507100500e+00 3.24 -2.442434039e+00 -2.442434039e+00 3.26 -2.378705548e+00 -2.378705548e+00 3.28 -2.315948546e+00 -2.315948546e+00 3.30 -2.254191719e+00 -2.254191719e+00 3.32 -2.193459653e+00 -2.193459653e+00 3.34 -2.133773186e+00 -2.133773186e+00 3.36 -2.075149481e+00 -2.075149481e+00 3.38 -2.017601886e+00 -2.017601886e+00 3.40 -1.961139662e+00 -1.961139662e+00 3.42 -1.905767679e+00 -1.905767679e+00 3.44 -1.851486162e+00 -1.851486162e+00 3.46 -1.798290558e+00 -1.798290558e+00 3.48 -1.746171601e+00 -1.746171601e+00 3.50 -1.695115581e+00 -1.695115581e+00 3.52 -1.645104844e+00 -1.645104844e+00 3.54 -1.596118445e+00 -1.596118445e+00 3.56 -1.548132925e+00 -1.548132925e+00 3.58 -1.501123104e+00 -1.501123104e+00 3.60 -1.455062847e+00 -1.455062847e+00 3.62 -1.409925743e+00 -1.409925743e+00 3.64 -1.365685706e+00 -1.365685706e+00 3.66 -1.322317532e+00 -1.322317532e+00 3.68 -1.279797495e+00 -1.279797495e+00 3.70 -1.238104043e+00 -1.238104043e+00 3.72 -1.197218678e+00 -1.197218678e+00 3.74 -1.157127013e+00 -1.157127013e+00 3.76 -1.117819964e+00 -1.117819964e+00 3.78 -1.079294913e+00 -1.079294913e+00 3.80 -1.041556626e+00 -1.041556626e+00 3.82 -1.004617645e+00 -1.004617645e+00 3.84 -9.684978935e-01 -9.684978935e-01 3.86 -9.332233191e-01 -9.332233191e-01 3.88 -8.988235618e-01 -8.988235618e-01 3.90 -8.653288509e-01 -8.653288509e-01 3.92 -8.327665297e-01 -8.327665297e-01 3.94 -8.011577386e-01 -8.011577386e-01 3.96 -7.705147801e-01 -7.705147801e-01 3.98 -7.408395717e-01 -7.408395717e-01 4.00 -7.121233476e-01 -7.121233476e-01 4.02 -6.843475313e-01 -6.843475313e-01 4.04 -6.574854839e-01 -6.574854839e-01 4.06 -6.315047222e-01 -6.315047222e-01 4.08 -6.063691902e-01 -6.063691902e-01 4.10 -5.820412434e-01 -5.820412434e-01 4.12 -5.584831429e-01 -5.584831429e-01 4.14 -5.356579736e-01 -5.356579736e-01 4.16 -5.135300746e-01 -5.135300746e-01 4.18 -4.920651084e-01 -4.920651084e-01 4.20 -4.712299701e-01 -4.712299701e-01 4.22 -4.509927159e-01 -4.509927159e-01 4.24 -4.313226517e-01 -4.313226517e-01 4.26 -4.121906563e-01 -4.121906563e-01 4.28 -3.935697447e-01 -3.935697447e-01 4.30 -3.754358251e-01 -3.754358251e-01 4.32 -3.577685597e-01 -3.577685597e-01 4.34 -3.405522246e-01 -3.405522246e-01 4.36 -3.237764543e-01 -3.237764543e-01 4.38 -3.074367579e-01 -3.074367579e-01 4.40 -2.915347006e-01 -2.915347006e-01 4.42 -2.760776580e-01 -2.760776580e-01 4.44 -2.610780824e-01 -2.610780824e-01 4.46 -2.465522675e-01 -2.465522675e-01 4.48 -2.325186701e-01 -2.325186701e-01 4.50 -2.189959254e-01 -2.189959254e-01 4.52 -2.060007598e-01 -2.060007598e-01 4.54 -1.935460515e-01 -1.935460515e-01 4.56 -1.816392820e-01 -1.816392820e-01 4.58 -1.702815700e-01 -1.702815700e-01 4.60 -1.594673941e-01 -1.594673941e-01 4.62 -1.491849921e-01 -1.491849921e-01 4.64 -1.394173396e-01 -1.394173396e-01 4.66 -1.301435353e-01 -1.301435353e-01 4.68 -1.213403721e-01 -1.213403721e-01 4.70 -1.129838711e-01 -1.129838711e-01 4.72 -1.050506217e-01 -1.050506217e-01 4.74 -9.751858952e-02 -9.751858952e-02 4.76 -9.036811118e-02 -9.036811118e-02 4.78 -8.358249983e-02 -8.358249983e-02 4.80 -7.714747469e-02 -7.714747469e-02 4.82 -7.105094219e-02 -7.105094219e-02 4.84 -6.528264978e-02 -6.528264978e-02 4.86 -5.983377186e-02 -5.983377186e-02 4.88 -5.469649382e-02 -5.469649382e-02 4.90 -4.986364684e-02 -4.986364684e-02 4.92 -4.532841246e-02 -4.532841246e-02 4.94 -4.108409340e-02 -4.108409340e-02 4.96 -3.712393302e-02 -3.712393302e-02 4.98 -3.344096194e-02 -3.344096194e-02 5.00 -3.002785495e-02 -3.002785495e-02 5.02 -2.687679103e-02 -2.687679103e-02 5.04 -2.397932019e-02 -2.397932019e-02 5.06 -2.132624750e-02 -2.132624750e-02 5.08 -1.890755554e-02 -1.890755554e-02 5.10 -1.671237574e-02 -1.671237574e-02 5.12 -1.472901937e-02 -1.472901937e-02 5.14 -1.294493415e-02 -1.294493415e-02 5.16 -1.134687477e-02 -1.134687477e-02 5.18 -9.921699145e-03 -9.921699145e-03 5.20 -8.656005073e-03 -8.656005073e-03 5.22 -7.536350261e-03 -7.536350261e-03 5.24 -6.549491640e-03 -6.549491640e-03 5.26 -5.682593855e-03 -5.682593855e-03 5.28 -4.923399810e-03 -4.923399810e-03 5.30 -4.260360294e-03 -4.260360294e-03 5.32 -3.682723268e-03 -3.682723268e-03 5.34 -3.180586045e-03 -3.180586045e-03 5.36 -2.744915263e-03 -2.744915263e-03 5.38 -2.367540418e-03 -2.367540418e-03 5.40 -2.041126839e-03 -2.041126839e-03 5.42 -1.759133662e-03 -1.759133662e-03 5.44 -1.515761734e-03 -1.515761734e-03 5.46 -1.305895564e-03 -1.305895564e-03 5.48 -1.125042652e-03 -1.125042652e-03 5.50 -9.692727316e-04 -9.692727316e-04 5.52 -8.351587860e-04 -8.351587860e-04 5.54 -7.197211140e-04 -7.197211140e-04 5.56 -6.203752478e-04 -6.203752478e-04 5.58 -5.348841662e-04 -5.348841662e-04 5.60 -4.613149663e-04 -4.613149663e-04 5.62 -3.979999597e-04 -3.979999597e-04 5.64 -3.435020235e-04 -3.435020235e-04 5.66 -2.965839482e-04 -2.965839482e-04 5.68 -2.561814745e-04 -2.561814745e-04 5.70 -2.213796870e-04 -2.213796870e-04 5.72 -1.913924294e-04 -1.913924294e-04 5.74 -1.655444145e-04 -1.655444145e-04 5.76 -1.432557199e-04 -1.432557199e-04 5.78 -1.240283824e-04 -1.240283824e-04 5.80 -1.074348309e-04 -1.074348309e-04 5.82 -9.310792085e-05 -9.310792085e-05 5.84 -8.073236049e-05 -8.073236049e-05 5.86 -7.003734251e-05 -7.003734251e-05 5.88 -6.079021715e-05 -6.079021715e-05 5.90 -5.279106336e-05 -5.279106336e-05 5.92 -4.586803305e-05 -4.586803305e-05 5.94 -3.987335973e-05 -3.987335973e-05 5.96 -3.467993786e-05 -3.467993786e-05 5.98 -3.017839168e-05 -3.017839168e-05 6.00 -2.627456367e-05 -2.627456367e-05