# 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 = Pb2TaTi # 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 4.574291403e+02 4.574291403e+02 1.30 4.276015703e+02 4.276015703e+02 1.32 3.998614141e+02 3.998614141e+02 1.34 3.740488798e+02 3.740488798e+02 1.36 3.500111748e+02 3.500111748e+02 1.38 3.276046780e+02 3.276046780e+02 1.40 3.066980161e+02 3.066980161e+02 1.42 2.871734628e+02 2.871734628e+02 1.44 2.689259882e+02 2.689259882e+02 1.46 2.518611796e+02 2.518611796e+02 1.48 2.358935862e+02 2.358935862e+02 1.50 2.209459536e+02 2.209459536e+02 1.52 2.069486669e+02 2.069486669e+02 1.54 1.938387283e+02 1.938387283e+02 1.56 1.815581249e+02 1.815581249e+02 1.58 1.700522416e+02 1.700522416e+02 1.60 1.592689746e+02 1.592689746e+02 1.62 1.491587673e+02 1.491587673e+02 1.64 1.396750966e+02 1.396750966e+02 1.66 1.307749387e+02 1.307749387e+02 1.68 1.224189117e+02 1.224189117e+02 1.70 1.145710504e+02 1.145710504e+02 1.72 1.071983195e+02 1.071983195e+02 1.74 1.002700024e+02 1.002700024e+02 1.76 9.375718837e+01 9.375718837e+01 1.78 8.763249115e+01 8.763249115e+01 1.80 8.186998337e+01 8.186998337e+01 1.82 7.644622773e+01 7.644622773e+01 1.84 7.134185181e+01 7.134185181e+01 1.86 6.653585753e+01 6.653585753e+01 1.88 6.200868249e+01 6.200868249e+01 1.90 5.775044386e+01 5.775044386e+01 1.92 5.375054366e+01 5.375054366e+01 1.94 4.999390820e+01 4.999390820e+01 1.96 4.646711047e+01 4.646711047e+01 1.98 4.315807893e+01 4.315807893e+01 2.00 4.005570844e+01 4.005570844e+01 2.02 3.714944989e+01 3.714944989e+01 2.04 3.442896125e+01 3.442896125e+01 2.06 3.188390019e+01 3.188390019e+01 2.08 2.950389712e+01 2.950389712e+01 2.10 2.727866755e+01 2.727866755e+01 2.12 2.519820651e+01 2.519820651e+01 2.14 2.325296388e+01 2.325296388e+01 2.16 2.143396383e+01 2.143396383e+01 2.18 1.973285616e+01 1.973285616e+01 2.20 1.814190525e+01 1.814190525e+01 2.22 1.665394991e+01 1.665394991e+01 2.24 1.526234556e+01 1.526234556e+01 2.26 1.396090594e+01 1.396090594e+01 2.28 1.274385412e+01 1.274385412e+01 2.30 1.160577200e+01 1.160577200e+01 2.32 1.054155652e+01 1.054155652e+01 2.34 9.546388799e+00 9.546388799e+00 2.36 8.615702818e+00 8.615702818e+00 2.38 7.745177968e+00 7.745177968e+00 2.40 6.930746068e+00 6.930746068e+00 2.42 6.168608610e+00 6.168608610e+00 2.44 5.455251738e+00 5.455251738e+00 2.46 4.787455695e+00 4.787455695e+00 2.48 4.162290957e+00 4.162290957e+00 2.50 3.577102160e+00 3.577102160e+00 2.52 3.029548488e+00 3.029548488e+00 2.54 2.517457226e+00 2.517457226e+00 2.56 2.038722147e+00 2.038722147e+00 2.58 1.591418471e+00 1.591418471e+00 2.60 1.173771419e+00 1.173771419e+00 2.62 7.841304035e-01 7.841304035e-01 2.64 4.209435656e-01 4.209435656e-01 2.66 8.274789064e-02 8.274789064e-02 2.68 -2.318341932e-01 -2.318341932e-01 2.70 -5.239909812e-01 -5.239909812e-01 2.72 -7.948112942e-01 -7.948112942e-01 2.74 -1.045364464e+00 -1.045364464e+00 2.76 -1.276693703e+00 -1.276693703e+00 2.78 -1.489840082e+00 -1.489840082e+00 2.80 -1.685790029e+00 -1.685790029e+00 2.82 -1.865433856e+00 -1.865433856e+00 2.84 -2.029632231e+00 -2.029632231e+00 2.86 -2.179215983e+00 -2.179215983e+00 2.88 -2.314986328e+00 -2.314986328e+00 2.90 -2.437715052e+00 -2.437715052e+00 2.92 -2.548144034e+00 -2.548144034e+00 2.94 -2.646982952e+00 -2.646982952e+00 2.96 -2.734860213e+00 -2.734860213e+00 2.98 -2.812313061e+00 -2.812313061e+00 3.00 -2.879858568e+00 -2.879858568e+00 3.02 -2.937998131e+00 -2.937998131e+00 3.04 -2.987217254e+00 -2.987217254e+00 3.06 -3.027987468e+00 -3.027987468e+00 3.08 -3.060764857e+00 -3.060764857e+00 3.10 -3.085992536e+00 -3.085992536e+00 3.12 -3.104100571e+00 -3.104100571e+00 3.14 -3.115513994e+00 -3.115513994e+00 3.16 -3.120647224e+00 -3.120647224e+00 3.18 -3.119913365e+00 -3.119913365e+00 3.20 -3.113724880e+00 -3.113724880e+00 3.22 -3.102494650e+00 -3.102494650e+00 3.24 -3.086635686e+00 -3.086635686e+00 3.26 -3.066559756e+00 -3.066559756e+00 3.28 -3.042675210e+00 -3.042675210e+00 3.30 -3.015384183e+00 -3.015384183e+00 3.32 -2.985079101e+00 -2.985079101e+00 3.34 -2.952138381e+00 -2.952138381e+00 3.36 -2.916921355e+00 -2.916921355e+00 3.38 -2.879762792e+00 -2.879762792e+00 3.40 -2.840967467e+00 -2.840967467e+00 3.42 -2.800806697e+00 -2.800806697e+00 3.44 -2.759514593e+00 -2.759514593e+00 3.46 -2.717288413e+00 -2.717288413e+00 3.48 -2.674296900e+00 -2.674296900e+00 3.50 -2.630736318e+00 -2.630736318e+00 3.52 -2.586663590e+00 -2.586663590e+00 3.54 -2.542088288e+00 -2.542088288e+00 3.56 -2.497009639e+00 -2.497009639e+00 3.58 -2.451418357e+00 -2.451418357e+00 3.60 -2.405298423e+00 -2.405298423e+00 3.62 -2.358629280e+00 -2.358629280e+00 3.64 -2.311386431e+00 -2.311386431e+00 3.66 -2.263522557e+00 -2.263522557e+00 3.68 -2.214984196e+00 -2.214984196e+00 3.70 -2.165736273e+00 -2.165736273e+00 3.72 -2.115768262e+00 -2.115768262e+00 3.74 -2.065099494e+00 -2.065099494e+00 3.76 -2.013782967e+00 -2.013782967e+00 3.78 -1.961907091e+00 -1.961907091e+00 3.80 -1.909595039e+00 -1.909595039e+00 3.82 -1.857001633e+00 -1.857001633e+00 3.84 -1.804307955e+00 -1.804307955e+00 3.86 -1.751714114e+00 -1.751714114e+00 3.88 -1.699430753e+00 -1.699430753e+00 3.90 -1.647670035e+00 -1.647670035e+00 3.92 -1.596636167e+00 -1.596636167e+00 3.94 -1.546520276e+00 -1.546520276e+00 3.96 -1.497489640e+00 -1.497489640e+00 3.98 -1.449686121e+00 -1.449686121e+00 4.00 -1.403222731e+00 -1.403222731e+00 4.02 -1.358182892e+00 -1.358182892e+00 4.04 -1.314621352e+00 -1.314621352e+00 4.06 -1.272566387e+00 -1.272566387e+00 4.08 -1.232022907e+00 -1.232022907e+00 4.10 -1.192973505e+00 -1.192973505e+00 4.12 -1.155392900e+00 -1.155392900e+00 4.14 -1.119234803e+00 -1.119234803e+00 4.16 -1.084447079e+00 -1.084447079e+00 4.18 -1.050971584e+00 -1.050971584e+00 4.20 -1.018746675e+00 -1.018746675e+00 4.22 -9.877092640e-01 -9.877092640e-01 4.24 -9.577964364e-01 -9.577964364e-01 4.26 -9.289466954e-01 -9.289466954e-01 4.28 -9.011008749e-01 -9.011008749e-01 4.30 -8.742027811e-01 -8.742027811e-01 4.32 -8.481996119e-01 -8.481996119e-01 4.34 -8.230421965e-01 -8.230421965e-01 4.36 -7.986850915e-01 -7.986850915e-01 4.38 -7.750865627e-01 -7.750865627e-01 4.40 -7.522084759e-01 -7.522084759e-01 4.42 -7.300161172e-01 -7.300161172e-01 4.44 -7.084779577e-01 -7.084779577e-01 4.46 -6.875653808e-01 -6.875653808e-01 4.48 -6.672523840e-01 -6.672523840e-01 4.50 -6.475152685e-01 -6.475152685e-01 4.52 -6.283323297e-01 -6.283323297e-01 4.54 -6.096835570e-01 -6.096835570e-01 4.56 -5.915503521e-01 -5.915503521e-01 4.58 -5.739152726e-01 -5.739152726e-01 4.60 -5.567618043e-01 -5.567618043e-01 4.62 -5.400741652e-01 -5.400741652e-01 4.64 -5.238371434e-01 -5.238371434e-01 4.66 -5.080359672e-01 -5.080359672e-01 4.68 -4.926562087e-01 -4.926562087e-01 4.70 -4.776837196e-01 -4.776837196e-01 4.72 -4.631045980e-01 -4.631045980e-01 4.74 -4.489051870e-01 -4.489051870e-01 4.76 -4.350721034e-01 -4.350721034e-01 4.78 -4.215922972e-01 -4.215922972e-01 4.80 -4.084516255e-01 -4.084516255e-01 4.82 -3.956412627e-01 -3.956412627e-01 4.84 -3.831479970e-01 -3.831479970e-01 4.86 -3.709612411e-01 -3.709612411e-01 4.88 -3.590713895e-01 -3.590713895e-01 4.90 -3.474699672e-01 -3.474699672e-01 4.92 -3.361497506e-01 -3.361497506e-01 4.94 -3.251048431e-01 -3.251048431e-01 4.96 -3.143306863e-01 -3.143306863e-01 4.98 -3.038239928e-01 -3.038239928e-01 5.00 -2.935825946e-01 -2.935825946e-01 5.02 -2.836052129e-01 -2.836052129e-01 5.04 -2.738911655e-01 -2.738911655e-01 5.06 -2.644400429e-01 -2.644400429e-01 5.08 -2.552513878e-01 -2.552513878e-01 5.10 -2.463244160e-01 -2.463244160e-01 5.12 -2.376578092e-01 -2.376578092e-01 5.14 -2.292495972e-01 -2.292495972e-01 5.16 -2.210971310e-01 -2.210971310e-01 5.18 -2.131971338e-01 -2.131971338e-01 5.20 -2.055458035e-01 -2.055458035e-01 5.22 -1.981389358e-01 -1.981389358e-01 5.24 -1.909720373e-01 -1.909720373e-01 5.26 -1.840404032e-01 -1.840404032e-01 5.28 -1.773391480e-01 -1.773391480e-01 5.30 -1.708631830e-01 -1.708631830e-01 5.32 -1.646071513e-01 -1.646071513e-01 5.34 -1.585653328e-01 -1.585653328e-01 5.36 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