# 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 = AlAuPb2 # 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 3.331458163e+02 3.331458163e+02 1.30 3.114317690e+02 3.114317690e+02 1.32 2.912060886e+02 2.912060886e+02 1.34 2.723535242e+02 2.723535242e+02 1.36 2.547679213e+02 2.547679213e+02 1.38 2.383508586e+02 2.383508586e+02 1.40 2.230120479e+02 2.230120479e+02 1.42 2.086702593e+02 2.086702593e+02 1.44 1.952537370e+02 1.952537370e+02 1.46 1.826994763e+02 1.826994763e+02 1.48 1.709510670e+02 1.709510670e+02 1.50 1.599558479e+02 1.599558479e+02 1.52 1.496628820e+02 1.496628820e+02 1.54 1.400226331e+02 1.400226331e+02 1.56 1.309877546e+02 1.309877546e+02 1.58 1.225140049e+02 1.225140049e+02 1.60 1.145607915e+02 1.145607915e+02 1.62 1.070913843e+02 1.070913843e+02 1.64 1.000728761e+02 1.000728761e+02 1.66 9.347590268e+01 9.347590268e+01 1.68 8.727404689e+01 8.727404689e+01 1.70 8.144349379e+01 8.144349379e+01 1.72 7.597053264e+01 7.597053264e+01 1.74 7.084563588e+01 7.084563588e+01 1.76 6.605070946e+01 6.605070946e+01 1.78 6.156396196e+01 6.156396196e+01 1.80 5.736415066e+01 5.736415066e+01 1.82 5.343144820e+01 5.343144820e+01 1.84 4.974742770e+01 4.974742770e+01 1.86 4.629506812e+01 4.629506812e+01 1.88 4.305879517e+01 4.305879517e+01 1.90 4.002448108e+01 4.002448108e+01 1.92 3.717937415e+01 3.717937415e+01 1.94 3.451195783e+01 3.451195783e+01 1.96 3.201174954e+01 3.201174954e+01 1.98 2.966906519e+01 2.966906519e+01 2.00 2.747479113e+01 2.747479113e+01 2.02 2.542020827e+01 2.542020827e+01 2.04 2.349689147e+01 2.349689147e+01 2.06 2.169669166e+01 2.169669166e+01 2.08 2.001178228e+01 2.001178228e+01 2.10 1.843472531e+01 1.843472531e+01 2.12 1.695853119e+01 1.695853119e+01 2.14 1.557668703e+01 1.557668703e+01 2.16 1.428315230e+01 1.428315230e+01 2.18 1.307233333e+01 1.307233333e+01 2.20 1.193904297e+01 1.193904297e+01 2.22 1.087846488e+01 1.087846488e+01 2.24 9.886120351e+00 9.886120351e+00 2.26 8.957840362e+00 8.957840362e+00 2.28 8.089742935e+00 8.089742935e+00 2.30 7.278206581e+00 7.278206581e+00 2.32 6.519849245e+00 6.519849245e+00 2.34 5.811506782e+00 5.811506782e+00 2.36 5.150210498e+00 5.150210498e+00 2.38 4.533166522e+00 4.533166522e+00 2.40 3.957736686e+00 3.957736686e+00 2.42 3.421423557e+00 3.421423557e+00 2.44 2.921859557e+00 2.921859557e+00 2.46 2.456802780e+00 2.456802780e+00 2.48 2.024136345e+00 2.024136345e+00 2.50 1.621869762e+00 1.621869762e+00 2.52 1.248139572e+00 1.248139572e+00 2.54 9.012067898e-01 9.012067898e-01 2.56 5.794494111e-01 5.794494111e-01 2.58 2.813495640e-01 2.813495640e-01 2.60 5.477133557e-03 5.477133557e-03 2.62 -2.495257841e-01 -2.495257841e-01 2.64 -4.849583726e-01 -4.849583726e-01 2.66 -7.020617412e-01 -7.020617412e-01 2.68 -9.020187179e-01 -9.020187179e-01 2.70 -1.085946997e+00 -1.085946997e+00 2.72 -1.254893251e+00 -1.254893251e+00 2.74 -1.409830164e+00 -1.409830164e+00 2.76 -1.551657068e+00 -1.551657068e+00 2.78 -1.681214923e+00 -1.681214923e+00 2.80 -1.799778279e+00 -1.799778279e+00 2.82 -1.908204646e+00 -1.908204646e+00 2.84 -2.006867154e+00 -2.006867154e+00 2.86 -2.096139530e+00 -2.096139530e+00 2.88 -2.176393364e+00 -2.176393364e+00 2.90 -2.247996776e+00 -2.247996776e+00 2.92 -2.311314767e+00 -2.311314767e+00 2.94 -2.366711405e+00 -2.366711405e+00 2.96 -2.414554623e+00 -2.414554623e+00 2.98 -2.455229374e+00 -2.455229374e+00 3.00 -2.489137396e+00 -2.489137396e+00 3.02 -2.516696538e+00 -2.516696538e+00 3.04 -2.538342602e+00 -2.538342602e+00 3.06 -2.554529152e+00 -2.554529152e+00 3.08 -2.565717004e+00 -2.565717004e+00 3.10 -2.572366349e+00 -2.572366349e+00 3.12 -2.574923244e+00 -2.574923244e+00 3.14 -2.573812801e+00 -2.573812801e+00 3.16 -2.569424623e+00 -2.569424623e+00 3.18 -2.562112754e+00 -2.562112754e+00 3.20 -2.552192896e+00 -2.552192896e+00 3.22 -2.539942961e+00 -2.539942961e+00 3.24 -2.525604849e+00 -2.525604849e+00 3.26 -2.509386946e+00 -2.509386946e+00 3.28 -2.491502393e+00 -2.491502393e+00 3.30 -2.472120090e+00 -2.472120090e+00 3.32 -2.451321098e+00 -2.451321098e+00 3.34 -2.429178582e+00 -2.429178582e+00 3.36 -2.405761252e+00 -2.405761252e+00 3.38 -2.381136022e+00 -2.381136022e+00 3.40 -2.355369869e+00 -2.355369869e+00 3.42 -2.328532197e+00 -2.328532197e+00 3.44 -2.300693911e+00 -2.300693911e+00 3.46 -2.271928105e+00 -2.271928105e+00 3.48 -2.242302245e+00 -2.242302245e+00 3.50 -2.211877088e+00 -2.211877088e+00 3.52 -2.180716191e+00 -2.180716191e+00 3.54 -2.148885055e+00 -2.148885055e+00 3.56 -2.116450067e+00 -2.116450067e+00 3.58 -2.083477694e+00 -2.083477694e+00 3.60 -2.050033990e+00 -2.050033990e+00 3.62 -2.016184363e+00 -2.016184363e+00 3.64 -1.981993552e+00 -1.981993552e+00 3.66 -1.947525705e+00 -1.947525705e+00 3.68 -1.912844422e+00 -1.912844422e+00 3.70 -1.878012627e+00 -1.878012627e+00 3.72 -1.843092168e+00 -1.843092168e+00 3.74 -1.808143075e+00 -1.808143075e+00 3.76 -1.773222542e+00 -1.773222542e+00 3.78 -1.738383726e+00 -1.738383726e+00 3.80 -1.703674568e+00 -1.703674568e+00 3.82 -1.669136825e+00 -1.669136825e+00 3.84 -1.634805491e+00 -1.634805491e+00 3.86 -1.600708681e+00 -1.600708681e+00 3.88 -1.566867968e+00 -1.566867968e+00 3.90 -1.533299098e+00 -1.533299098e+00 3.92 -1.500012284e+00 -1.500012284e+00 3.94 -1.467015880e+00 -1.467015880e+00 3.96 -1.434313149e+00 -1.434313149e+00 3.98 -1.401906022e+00 -1.401906022e+00 4.00 -1.369794973e+00 -1.369794973e+00 4.02 -1.337979517e+00 -1.337979517e+00 4.04 -1.306458579e+00 -1.306458579e+00 4.06 -1.275230833e+00 -1.275230833e+00 4.08 -1.244295040e+00 -1.244295040e+00 4.10 -1.213648458e+00 -1.213648458e+00 4.12 -1.183295804e+00 -1.183295804e+00 4.14 -1.153236701e+00 -1.153236701e+00 4.16 -1.123475767e+00 -1.123475767e+00 4.18 -1.094021024e+00 -1.094021024e+00 4.20 -1.064884749e+00 -1.064884749e+00 4.22 -1.036084164e+00 -1.036084164e+00 4.24 -1.007641850e+00 -1.007641850e+00 4.26 -9.795857271e-01 -9.795857271e-01 4.28 -9.519485043e-01 -9.519485043e-01 4.30 -9.247665487e-01 -9.247665487e-01 4.32 -8.980782106e-01 -8.980782106e-01 4.34 -8.719217276e-01 -8.719217276e-01 4.36 -8.463329163e-01 -8.463329163e-01 4.38 -8.213429019e-01 -8.213429019e-01 4.40 -7.969761421e-01 -7.969761421e-01 4.42 -7.732489537e-01 -7.732489537e-01 4.44 -7.501686704e-01 -7.501686704e-01 4.46 -7.277334608e-01 -7.277334608e-01 4.48 -7.059327452e-01 -7.059327452e-01 4.50 -6.847480823e-01 -6.847480823e-01 4.52 -6.641543658e-01 -6.641543658e-01 4.54 -6.441211675e-01 -6.441211675e-01 4.56 -6.246140905e-01 -6.246140905e-01 4.58 -6.055960343e-01 -6.055960343e-01 4.60 -5.870283135e-01 -5.870283135e-01 4.62 -5.688716143e-01 -5.688716143e-01 4.64 -5.510867966e-01 -5.510867966e-01 4.66 -5.336355752e-01 -5.336355752e-01 4.68 -5.164811197e-01 -5.164811197e-01 4.70 -4.995886165e-01 -4.995886165e-01 4.72 -4.829258332e-01 -4.829258332e-01 4.74 -4.664637148e-01 -4.664637148e-01 4.76 -4.501770320e-01 -4.501770320e-01 4.78 -4.340450813e-01 -4.340450813e-01 4.80 -4.180509945e-01 -4.180509945e-01 4.82 -4.021884165e-01 -4.021884165e-01 4.84 -3.864529159e-01 -3.864529159e-01 4.86 -3.708490061e-01 -3.708490061e-01 4.88 -3.553888043e-01 -3.553888043e-01 4.90 -3.400920891e-01 -3.400920891e-01 4.92 -3.249859865e-01 -3.249859865e-01 4.94 -3.101042304e-01 -3.101042304e-01 4.96 -2.954859841e-01 -2.954859841e-01 4.98 -2.811742547e-01 -2.811742547e-01 5.00 -2.672139858e-01 -2.672139858e-01 5.02 -2.536499615e-01 -2.536499615e-01 5.04 -2.405246874e-01 -2.405246874e-01 5.06 -2.278764238e-01 -2.278764238e-01 5.08 -2.157375363e-01 -2.157375363e-01 5.10 -2.041332876e-01 -2.041332876e-01 5.12 -1.930811423e-01 -1.930811423e-01 5.14 -1.825905966e-01 -1.825905966e-01 5.16 -1.726634847e-01 -1.726634847e-01 5.18 -1.632946741e-01 -1.632946741e-01 5.20 -1.544730305e-01 -1.544730305e-01 5.22 -1.461825300e-01 -1.461825300e-01 5.24 -1.384033997e-01 -1.384033997e-01 5.26 -1.311131910e-01 -1.311131910e-01 5.28 -1.242877383e-01 -1.242877383e-01 5.30 -1.179019472e-01 -1.179019472e-01 5.32 -1.119304044e-01 -1.119304044e-01 5.34 -1.063478156e-01 -1.063478156e-01 5.36 -1.011293122e-01 -1.011293122e-01 5.38 -9.625064891e-02 -9.625064891e-02 5.40 -9.168829929e-02 -9.168829929e-02 5.42 -8.741855547e-02 -8.741855547e-02 5.44 -8.341978918e-02 -8.341978918e-02 5.46 -7.967174733e-02 -7.967174733e-02 5.48 -7.615478893e-02 -7.615478893e-02 5.50 -7.285002311e-02 -7.285002311e-02 5.52 -6.973941333e-02 -6.973941333e-02 5.54 -6.680585405e-02 -6.680585405e-02 5.56 -6.403322335e-02 -6.403322335e-02 5.58 -6.140641418e-02 -6.140641418e-02 5.60 -5.891134668e-02 -5.891134668e-02 5.62 -5.653496405e-02 -5.653496405e-02 5.64 -5.426521517e-02 -5.426521517e-02 5.66 -5.209102687e-02 -5.209102687e-02 5.68 -5.000226940e-02 -5.000226940e-02 5.70 -4.798971821e-02 -4.798971821e-02 5.72 -4.604501486e-02 -4.604501486e-02 5.74 -4.416062978e-02 -4.416062978e-02 5.76 -4.232982865e-02 -4.232982865e-02 5.78 -4.054664380e-02 -4.054664380e-02 5.80 -3.880585255e-02 -3.880585255e-02 5.82 -3.710296052e-02 -3.710296052e-02 5.84 -3.543419088e-02 -3.543419088e-02 5.86 -3.379647820e-02 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