# 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 = Au2PbTi # 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 3.998521450e+02 3.998521450e+02 1.30 3.725446735e+02 3.725446735e+02 1.32 3.471776368e+02 3.471776368e+02 1.34 3.235981958e+02 3.235981958e+02 1.36 3.016664626e+02 3.016664626e+02 1.38 2.812544602e+02 2.812544602e+02 1.40 2.622460808e+02 2.622460808e+02 1.42 2.445362782e+02 2.445362782e+02 1.44 2.280293751e+02 2.280293751e+02 1.46 2.126373835e+02 2.126373835e+02 1.48 1.982789482e+02 1.982789482e+02 1.50 1.848788924e+02 1.848788924e+02 1.52 1.723679902e+02 1.723679902e+02 1.54 1.606825253e+02 1.606825253e+02 1.56 1.497635401e+02 1.497635401e+02 1.58 1.395560540e+02 1.395560540e+02 1.60 1.300087045e+02 1.300087045e+02 1.62 1.210738468e+02 1.210738468e+02 1.64 1.127077913e+02 1.127077913e+02 1.66 1.048708432e+02 1.048708432e+02 1.68 9.752704558e+01 9.752704558e+01 1.70 9.064368051e+01 9.064368051e+01 1.72 8.419064925e+01 8.419064925e+01 1.74 7.813990254e+01 7.813990254e+01 1.76 7.246509036e+01 7.246509036e+01 1.78 6.714142750e+01 6.714142750e+01 1.80 6.215781755e+01 6.215781755e+01 1.82 5.750716825e+01 5.750716825e+01 1.84 5.317142745e+01 5.317142745e+01 1.86 4.912886043e+01 4.912886043e+01 1.88 4.535917776e+01 4.535917776e+01 1.90 4.184383800e+01 4.184383800e+01 1.92 3.856594961e+01 3.856594961e+01 1.94 3.551005226e+01 3.551005226e+01 1.96 3.266184081e+01 3.266184081e+01 1.98 3.000788888e+01 3.000788888e+01 2.00 2.753546362e+01 2.753546362e+01 2.02 2.523246127e+01 2.523246127e+01 2.04 2.308742223e+01 2.308742223e+01 2.06 2.108956995e+01 2.108956995e+01 2.08 1.922883923e+01 1.922883923e+01 2.10 1.749589038e+01 1.749589038e+01 2.12 1.588209547e+01 1.588209547e+01 2.14 1.437950503e+01 1.437950503e+01 2.16 1.298079134e+01 1.298079134e+01 2.18 1.167918276e+01 1.167918276e+01 2.20 1.046839813e+01 1.046839813e+01 2.22 9.342593699e+00 9.342593699e+00 2.24 8.296319836e+00 8.296319836e+00 2.26 7.324484670e+00 7.324484670e+00 2.28 6.422317186e+00 6.422317186e+00 2.30 5.585336026e+00 5.585336026e+00 2.32 4.809319527e+00 4.809319527e+00 2.34 4.090283943e+00 4.090283943e+00 2.36 3.424474193e+00 3.424474193e+00 2.38 2.808360008e+00 2.808360008e+00 2.40 2.238635047e+00 2.238635047e+00 2.42 1.712213817e+00 1.712213817e+00 2.44 1.226222337e+00 1.226222337e+00 2.46 7.779838946e-01 7.779838946e-01 2.48 3.650011017e-01 3.650011017e-01 2.50 -1.506217669e-02 -1.506217669e-02 2.52 -3.643966929e-01 -3.643966929e-01 2.54 -6.850604781e-01 -6.850604781e-01 2.56 -9.789885527e-01 -9.789885527e-01 2.58 -1.248000462e+00 -1.248000462e+00 2.60 -1.493806058e+00 -1.493806058e+00 2.62 -1.718009236e+00 -1.718009236e+00 2.64 -1.922110405e+00 -1.922110405e+00 2.66 -2.107531984e+00 -2.107531984e+00 2.68 -2.275596814e+00 -2.275596814e+00 2.70 -2.427443634e+00 -2.427443634e+00 2.72 -2.564131919e+00 -2.564131919e+00 2.74 -2.686650470e+00 -2.686650470e+00 2.76 -2.795922979e+00 -2.795922979e+00 2.78 -2.892813480e+00 -2.892813480e+00 2.80 -2.978131701e+00 -2.978131701e+00 2.82 -3.052655243e+00 -3.052655243e+00 2.84 -3.117128063e+00 -3.117128063e+00 2.86 -3.172005056e+00 -3.172005056e+00 2.88 -3.217718866e+00 -3.217718866e+00 2.90 -3.254712993e+00 -3.254712993e+00 2.92 -3.283438541e+00 -3.283438541e+00 2.94 -3.304353121e+00 -3.304353121e+00 2.96 -3.317921632e+00 -3.317921632e+00 2.98 -3.324618355e+00 -3.324618355e+00 3.00 -3.324924275e+00 -3.324924275e+00 3.02 -3.319321364e+00 -3.319321364e+00 3.04 -3.308301577e+00 -3.308301577e+00 3.06 -3.292364315e+00 -3.292364315e+00 3.08 -3.272001643e+00 -3.272001643e+00 3.10 -3.247688182e+00 -3.247688182e+00 3.12 -3.219868251e+00 -3.219868251e+00 3.14 -3.188949822e+00 -3.188949822e+00 3.16 -3.155297598e+00 -3.155297598e+00 3.18 -3.119235908e+00 -3.119235908e+00 3.20 -3.081051335e+00 -3.081051335e+00 3.22 -3.040997145e+00 -3.040997145e+00 3.24 -2.999297723e+00 -2.999297723e+00 3.26 -2.956152480e+00 -2.956152480e+00 3.28 -2.911754784e+00 -2.911754784e+00 3.30 -2.866282256e+00 -2.866282256e+00 3.32 -2.819844968e+00 -2.819844968e+00 3.34 -2.772545486e+00 -2.772545486e+00 3.36 -2.724482442e+00 -2.724482442e+00 3.38 -2.675751721e+00 -2.675751721e+00 3.40 -2.626447442e+00 -2.626447442e+00 3.42 -2.576663554e+00 -2.576663554e+00 3.44 -2.526493586e+00 -2.526493586e+00 3.46 -2.476026590e+00 -2.476026590e+00 3.48 -2.425347979e+00 -2.425347979e+00 3.50 -2.374547345e+00 -2.374547345e+00 3.52 -2.323718069e+00 -2.323718069e+00 3.54 -2.272955865e+00 -2.272955865e+00 3.56 -2.222356521e+00 -2.222356521e+00 3.58 -2.172013026e+00 -2.172013026e+00 3.60 -2.122012463e+00 -2.122012463e+00 3.62 -2.072433262e+00 -2.072433262e+00 3.64 -2.023343318e+00 -2.023343318e+00 3.66 -1.974799285e+00 -1.974799285e+00 3.68 -1.926847018e+00 -1.926847018e+00 3.70 -1.879522885e+00 -1.879522885e+00 3.72 -1.832855476e+00 -1.832855476e+00 3.74 -1.786867317e+00 -1.786867317e+00 3.76 -1.741576268e+00 -1.741576268e+00 3.78 -1.696996509e+00 -1.696996509e+00 3.80 -1.653139125e+00 -1.653139125e+00 3.82 -1.610012435e+00 -1.610012435e+00 3.84 -1.567622184e+00 -1.567622184e+00 3.86 -1.525971737e+00 -1.525971737e+00 3.88 -1.485062316e+00 -1.485062316e+00 3.90 -1.444893302e+00 -1.444893302e+00 3.92 -1.405462154e+00 -1.405462154e+00 3.94 -1.366766446e+00 -1.366766446e+00 3.96 -1.328801426e+00 -1.328801426e+00 3.98 -1.291562114e+00 -1.291562114e+00 4.00 -1.255042931e+00 -1.255042931e+00 4.02 -1.219237775e+00 -1.219237775e+00 4.04 -1.184140083e+00 -1.184140083e+00 4.06 -1.149742917e+00 -1.149742917e+00 4.08 -1.116039086e+00 -1.116039086e+00 4.10 -1.083020301e+00 -1.083020301e+00 4.12 -1.050681852e+00 -1.050681852e+00 4.14 -1.019016063e+00 -1.019016063e+00 4.16 -9.880175669e-01 -9.880175669e-01 4.18 -9.576824644e-01 -9.576824644e-01 4.20 -9.280087328e-01 -9.280087328e-01 4.22 -8.989965363e-01 -8.989965363e-01 4.24 -8.706483655e-01 -8.706483655e-01 4.26 -8.429689453e-01 -8.429689453e-01 4.28 -8.159648673e-01 -8.159648673e-01 4.30 -7.896439389e-01 -7.896439389e-01 4.32 -7.640142807e-01 -7.640142807e-01 4.34 -7.390832493e-01 -7.390832493e-01 4.36 -7.148562980e-01 -7.148562980e-01 4.38 -6.913359034e-01 -6.913359034e-01 4.40 -6.685206827e-01 -6.685206827e-01 4.42 -6.464047964e-01 -6.464047964e-01 4.44 -6.249776866e-01 -6.249776866e-01 4.46 -6.042241511e-01 -6.042241511e-01 4.48 -5.841247092e-01 -5.841247092e-01 4.50 -5.646561845e-01 -5.646561845e-01 4.52 -5.457924175e-01 -5.457924175e-01 4.54 -5.275050258e-01 -5.275050258e-01 4.56 -5.097641436e-01 -5.097641436e-01 4.58 -4.925390956e-01 -4.925390956e-01 4.60 -4.757989817e-01 -4.757989817e-01 4.62 -4.595131698e-01 -4.595131698e-01 4.64 -4.436517058e-01 -4.436517058e-01 4.66 -4.281856619e-01 -4.281856619e-01 4.68 -4.130874473e-01 -4.130874473e-01 4.70 -3.983311039e-01 -3.983311039e-01 4.72 -3.838926097e-01 -3.838926097e-01 4.74 -3.697502040e-01 -3.697502040e-01 4.76 -3.558847438e-01 -3.558847438e-01 4.78 -3.422800908e-01 -3.422800908e-01 4.80 -3.289227347e-01 -3.289227347e-01 4.82 -3.158054546e-01 -3.158054546e-01 4.84 -3.029226029e-01 -3.029226029e-01 4.86 -2.902739491e-01 -2.902739491e-01 4.88 -2.778639245e-01 -2.778639245e-01 4.90 -2.657016243e-01 -2.657016243e-01 4.92 -2.538005887e-01 -2.538005887e-01 4.94 -2.421783300e-01 -2.421783300e-01 4.96 -2.308555900e-01 -2.308555900e-01 4.98 -2.198553415e-01 -2.198553415e-01 5.00 -2.092015796e-01 -2.092015796e-01 5.02 -1.989179780e-01 -1.989179780e-01 5.04 -1.890265129e-01 -1.890265129e-01 5.06 -1.795461685e-01 -1.795461685e-01 5.08 -1.704918361e-01 -1.704918361e-01 5.10 -1.618735018e-01 -1.618735018e-01 5.12 -1.536957738e-01 -1.536957738e-01 5.14 -1.459577839e-01 -1.459577839e-01 5.16 -1.386534309e-01 -1.386534309e-01 5.18 -1.317719059e-01 -1.317719059e-01 5.20 -1.252984128e-01 -1.252984128e-01 5.22 -1.192150069e-01 -1.192150069e-01 5.24 -1.135014595e-01 -1.135014595e-01 5.26 -1.081358263e-01 -1.081358263e-01 5.28 -1.030951948e-01 -1.030951948e-01 5.30 -9.835749776e-02 -9.835749776e-02 5.32 -9.390077700e-02 -9.390077700e-02 5.34 -8.970353516e-02 -8.970353516e-02 5.36 -8.574495309e-02 -8.574495309e-02 5.38 -8.200510400e-02 -8.200510400e-02 5.40 -7.846532762e-02 -7.846532762e-02 5.42 -7.510799275e-02 -7.510799275e-02 5.44 -7.191650308e-02 -7.191650308e-02 5.46 -6.887529760e-02 -6.887529760e-02 5.48 -6.596984475e-02 -6.596984475e-02 5.50 -6.318663868e-02 -6.318663868e-02 5.52 -6.051320184e-02 -6.051320184e-02 5.54 -5.793809591e-02 -5.793809591e-02 5.56 -5.545094106e-02 -5.545094106e-02 5.58 -5.304244204e-02 -5.304244204e-02 5.60 -5.070441866e-02 -5.070441866e-02 5.62 -4.842983708e-02 -4.842983708e-02 5.64 -4.621283710e-02 -4.621283710e-02 5.66 -4.404874994e-02 -4.404874994e-02 5.68 -4.193409994e-02 -4.193409994e-02 5.70 -3.986658345e-02 -3.986658345e-02 5.72 -3.784501868e-02 -3.784501868e-02 5.74 -3.586926171e-02 -3.586926171e-02 5.76 -3.394008631e-02 -3.394008631e-02 5.78 -3.205902891e-02 -3.205902891e-02 5.80 -3.022820400e-02 -3.022820400e-02 5.82 -2.845009953e-02 -2.845009953e-02 5.84 -2.672736504e-02 -2.672736504e-02 5.86 -2.506260760e-02 -2.506260760e-02 5.88 -2.345820920e-02 -2.345820920e-02 5.90 -2.191618018e-02 -2.191618018e-02 5.92 -2.043805614e-02 -2.043805614e-02 5.94 -1.902484225e-02 -1.902484225e-02 5.96 -1.767700350e-02 -1.767700350e-02 5.98 -1.639449436e-02 -1.639449436e-02 6.00 -1.517681820e-02 -1.517681820e-02