# 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 = AlPb2Zr # 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 3.697348463e+02 3.697348463e+02 1.30 3.465002260e+02 3.465002260e+02 1.32 3.248381669e+02 3.248381669e+02 1.34 3.046254125e+02 3.046254125e+02 1.36 2.857491702e+02 2.857491702e+02 1.38 2.681064965e+02 2.681064965e+02 1.40 2.516039021e+02 2.516039021e+02 1.42 2.361573699e+02 2.361573699e+02 1.44 2.216919423e+02 2.216919423e+02 1.46 2.081402374e+02 2.081402374e+02 1.48 1.954404704e+02 1.954404704e+02 1.50 1.835350244e+02 1.835350244e+02 1.52 1.723698492e+02 1.723698492e+02 1.54 1.618943236e+02 1.618943236e+02 1.56 1.520611670e+02 1.520611670e+02 1.58 1.428261813e+02 1.428261813e+02 1.60 1.341481234e+02 1.341481234e+02 1.62 1.259888772e+02 1.259888772e+02 1.64 1.183138002e+02 1.183138002e+02 1.66 1.110918163e+02 1.110918163e+02 1.68 1.042950425e+02 1.042950425e+02 1.70 9.789791629e+01 9.789791629e+01 1.72 9.187625149e+01 9.187625149e+01 1.74 8.620664280e+01 8.620664280e+01 1.76 8.086641593e+01 8.086641593e+01 1.78 7.583391066e+01 7.583391066e+01 1.80 7.108900109e+01 7.108900109e+01 1.82 6.661334867e+01 6.661334867e+01 1.84 6.238982786e+01 6.238982786e+01 1.86 5.840951694e+01 5.840951694e+01 1.88 5.466465176e+01 5.466465176e+01 1.90 5.114119796e+01 5.114119796e+01 1.92 4.782546135e+01 4.782546135e+01 1.94 4.470451973e+01 4.470451973e+01 1.96 4.176632100e+01 4.176632100e+01 1.98 3.899976432e+01 3.899976432e+01 2.00 3.639468300e+01 3.639468300e+01 2.02 3.394170940e+01 3.394170940e+01 2.04 3.163209949e+01 3.163209949e+01 2.06 2.945760626e+01 2.945760626e+01 2.08 2.741043577e+01 2.741043577e+01 2.10 2.548325646e+01 2.548325646e+01 2.12 2.366919854e+01 2.366919854e+01 2.14 2.196183145e+01 2.196183145e+01 2.16 2.035511031e+01 2.035511031e+01 2.18 1.884332145e+01 1.884332145e+01 2.20 1.742105051e+01 1.742105051e+01 2.22 1.608316466e+01 1.608316466e+01 2.24 1.482480949e+01 1.482480949e+01 2.26 1.364141038e+01 1.364141038e+01 2.28 1.252867282e+01 1.252867282e+01 2.30 1.148257707e+01 1.148257707e+01 2.32 1.049936592e+01 1.049936592e+01 2.34 9.575511116e+00 9.575511116e+00 2.36 8.707686928e+00 8.707686928e+00 2.38 7.892736850e+00 7.892736850e+00 2.40 7.127647583e+00 7.127647583e+00 2.42 6.409529491e+00 6.409529491e+00 2.44 5.735613761e+00 5.735613761e+00 2.46 5.103256031e+00 5.103256031e+00 2.48 4.509952144e+00 4.509952144e+00 2.50 3.953356092e+00 3.953356092e+00 2.52 3.431293301e+00 3.431293301e+00 2.54 2.941763615e+00 2.941763615e+00 2.56 2.482932451e+00 2.482932451e+00 2.58 2.053112276e+00 2.053112276e+00 2.60 1.650731608e+00 1.650731608e+00 2.62 1.274269926e+00 1.274269926e+00 2.64 9.223709798e-01 9.223709798e-01 2.66 5.937465214e-01 5.937465214e-01 2.68 2.871426947e-01 2.871426947e-01 2.70 1.340427565e-03 1.340427565e-03 2.72 -2.648399472e-01 -2.648399472e-01 2.74 -5.125318608e-01 -5.125318608e-01 2.76 -7.428154348e-01 -7.428154348e-01 2.78 -9.567042349e-01 -9.567042349e-01 2.80 -1.155077906e+00 -1.155077906e+00 2.82 -1.338712049e+00 -1.338712049e+00 2.84 -1.508346191e+00 -1.508346191e+00 2.86 -1.664682801e+00 -1.664682801e+00 2.88 -1.808388970e+00 -1.808388970e+00 2.90 -1.940099591e+00 -1.940099591e+00 2.92 -2.060421479e+00 -2.060421479e+00 2.94 -2.169938035e+00 -2.169938035e+00 2.96 -2.269214122e+00 -2.269214122e+00 2.98 -2.359172623e+00 -2.359172623e+00 3.00 -2.440692572e+00 -2.440692572e+00 3.02 -2.514063573e+00 -2.514063573e+00 3.04 -2.579597428e+00 -2.579597428e+00 3.06 -2.637635293e+00 -2.637635293e+00 3.08 -2.688533434e+00 -2.688533434e+00 3.10 -2.732666285e+00 -2.732666285e+00 3.12 -2.770417551e+00 -2.770417551e+00 3.14 -2.802182857e+00 -2.802182857e+00 3.16 -2.828362551e+00 -2.828362551e+00 3.18 -2.849357474e+00 -2.849357474e+00 3.20 -2.865553376e+00 -2.865553376e+00 3.22 -2.877316530e+00 -2.877316530e+00 3.24 -2.884990202e+00 -2.884990202e+00 3.26 -2.888892407e+00 -2.888892407e+00 3.28 -2.889315194e+00 -2.889315194e+00 3.30 -2.886525304e+00 -2.886525304e+00 3.32 -2.880765645e+00 -2.880765645e+00 3.34 -2.872257048e+00 -2.872257048e+00 3.36 -2.861199945e+00 -2.861199945e+00 3.38 -2.847776045e+00 -2.847776045e+00 3.40 -2.832149174e+00 -2.832149174e+00 3.42 -2.814471890e+00 -2.814471890e+00 3.44 -2.794881113e+00 -2.794881113e+00 3.46 -2.773505660e+00 -2.773505660e+00 3.48 -2.750467238e+00 -2.750467238e+00 3.50 -2.725882210e+00 -2.725882210e+00 3.52 -2.699862697e+00 -2.699862697e+00 3.54 -2.672517082e+00 -2.672517082e+00 3.56 -2.643968757e+00 -2.643968757e+00 3.58 -2.614353376e+00 -2.614353376e+00 3.60 -2.583731179e+00 -2.583731179e+00 3.62 -2.552161386e+00 -2.552161386e+00 3.64 -2.519705832e+00 -2.519705832e+00 3.66 -2.486428318e+00 -2.486428318e+00 3.68 -2.452394323e+00 -2.452394323e+00 3.70 -2.417670978e+00 -2.417670978e+00 3.72 -2.382327213e+00 -2.382327213e+00 3.74 -2.346433984e+00 -2.346433984e+00 3.76 -2.310063967e+00 -2.310063967e+00 3.78 -2.273285545e+00 -2.273285545e+00 3.80 -2.236164032e+00 -2.236164032e+00 3.82 -2.198769165e+00 -2.198769165e+00 3.84 -2.161174176e+00 -2.161174176e+00 3.86 -2.123454160e+00 -2.123454160e+00 3.88 -2.085683857e+00 -2.085683857e+00 3.90 -2.047934943e+00 -2.047934943e+00 3.92 -2.010271411e+00 -2.010271411e+00 3.94 -1.972754238e+00 -1.972754238e+00 3.96 -1.935427926e+00 -1.935427926e+00 3.98 -1.898327638e+00 -1.898327638e+00 4.00 -1.861477162e+00 -1.861477162e+00 4.02 -1.824889986e+00 -1.824889986e+00 4.04 -1.788571058e+00 -1.788571058e+00 4.06 -1.752518911e+00 -1.752518911e+00 4.08 -1.716727874e+00 -1.716727874e+00 4.10 -1.681184781e+00 -1.681184781e+00 4.12 -1.645893414e+00 -1.645893414e+00 4.14 -1.610840728e+00 -1.610840728e+00 4.16 -1.576023184e+00 -1.576023184e+00 4.18 -1.541441426e+00 -1.541441426e+00 4.20 -1.507101321e+00 -1.507101321e+00 4.22 -1.473014740e+00 -1.473014740e+00 4.24 -1.439199990e+00 -1.439199990e+00 4.26 -1.405681827e+00 -1.405681827e+00 4.28 -1.372490946e+00 -1.372490946e+00 4.30 -1.339662936e+00 -1.339662936e+00 4.32 -1.307236719e+00 -1.307236719e+00 4.34 -1.275252583e+00 -1.275252583e+00 4.36 -1.243749999e+00 -1.243749999e+00 4.38 -1.212765441e+00 -1.212765441e+00 4.40 -1.182330448e+00 -1.182330448e+00 4.42 -1.152470118e+00 -1.152470118e+00 4.44 -1.123202153e+00 -1.123202153e+00 4.46 -1.094536503e+00 -1.094536503e+00 4.48 -1.066475540e+00 -1.066475540e+00 4.50 -1.039014674e+00 -1.039014674e+00 4.52 -1.012143257e+00 -1.012143257e+00 4.54 -9.858456342e-01 -9.858456342e-01 4.56 -9.601022258e-01 -9.601022258e-01 4.58 -9.348905427e-01 -9.348905427e-01 4.60 -9.101860887e-01 -9.101860887e-01 4.62 -8.859631283e-01 -8.859631283e-01 4.64 -8.621953263e-01 -8.621953263e-01 4.66 -8.388562824e-01 -8.388562824e-01 4.68 -8.159199950e-01 -8.159199950e-01 4.70 -7.933612867e-01 -7.933612867e-01 4.72 -7.711562267e-01 -7.711562267e-01 4.74 -7.492825722e-01 -7.492825722e-01 4.76 -7.277202480e-01 -7.277202480e-01 4.78 -7.064518668e-01 -7.064518668e-01 4.80 -6.854589421e-01 -6.854589421e-01 4.82 -6.647405294e-01 -6.647405294e-01 4.84 -6.442854531e-01 -6.442854531e-01 4.86 -6.240925365e-01 -6.240925365e-01 4.88 -6.041657267e-01 -6.041657267e-01 4.90 -5.845142242e-01 -5.845142242e-01 4.92 -5.651523598e-01 -5.651523598e-01 4.94 -5.460991786e-01 -5.460991786e-01 4.96 -5.273777136e-01 -5.273777136e-01 4.98 -5.090139676e-01 -5.090139676e-01 5.00 -4.910356566e-01 -4.910356566e-01 5.02 -4.734708016e-01 -4.734708016e-01 5.04 -4.563462806e-01 -4.563462806e-01 5.06 -4.396864646e-01 -4.396864646e-01 5.08 -4.235120498e-01 -4.235120498e-01 5.10 -4.078391792e-01 -4.078391792e-01 5.12 -3.926789095e-01 -3.926789095e-01 5.14 -3.780370357e-01 -3.780370357e-01 5.16 -3.639142505e-01 -3.639142505e-01 5.18 -3.503065814e-01 -3.503065814e-01 5.20 -3.372060283e-01 -3.372060283e-01 5.22 -3.246013198e-01 -3.246013198e-01 5.24 -3.124787081e-01 -3.124787081e-01 5.26 -3.008227388e-01 -3.008227388e-01 5.28 -2.896169456e-01 -2.896169456e-01 5.30 -2.788444428e-01 -2.788444428e-01 5.32 -2.684884018e-01 -2.684884018e-01 5.34 -2.585324131e-01 -2.585324131e-01 5.36 -2.489607403e-01 -2.489607403e-01 5.38 -2.397584801e-01 -2.397584801e-01 5.40 -2.309116378e-01 -2.309116378e-01 5.42 -2.224071303e-01 -2.224071303e-01 5.44 -2.142327236e-01 -2.142327236e-01 5.46 -2.063769157e-01 -2.063769157e-01 5.48 -1.988287725e-01 -1.988287725e-01 5.50 -1.915777311e-01 -1.915777311e-01 5.52 -1.846133882e-01 -1.846133882e-01 5.54 -1.779252919e-01 -1.779252919e-01 5.56 -1.715027570e-01 -1.715027570e-01 5.58 -1.653347242e-01 -1.653347242e-01 5.60 -1.594096719e-01 -1.594096719e-01 5.62 -1.537155917e-01 -1.537155917e-01 5.64 -1.482400219e-01 -1.482400219e-01 5.66 -1.429701344e-01 -1.429701344e-01 5.68 -1.378928612e-01 -1.378928612e-01 5.70 -1.329950465e-01 -1.329950465e-01 5.72 -1.282636102e-01 -1.282636102e-01 5.74 -1.236857099e-01 -1.236857099e-01 5.76 -1.192488932e-01 -1.192488932e-01 5.78 -1.149412331e-01 -1.149412331e-01 5.80 -1.107514438e-01 -1.107514438e-01 5.82 -1.066689766e-01 -1.066689766e-01 5.84 -1.026840986e-01 -1.026840986e-01 5.86 -9.878795293e-02 -9.878795293e-02 5.88 -9.497260442e-02 -9.497260442e-02 5.90 -9.123107361e-02 -9.123107361e-02 5.92 -8.755735879e-02 -8.755735879e-02 5.94 -8.394644764e-02 -8.394644764e-02 5.96 -8.039431862e-02 -8.039431862e-02 5.98 -7.689793052e-02 -7.689793052e-02 6.00 -7.345519884e-02 -7.345519884e-02