# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = ClIdLi2 # 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 2022-05-24 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 nan nan 1.30 4.597324591e+06 4.597324591e+06 1.32 3.524128406e+06 3.524128406e+06 1.34 2.712062836e+06 2.712062836e+06 1.36 2.095057260e+06 2.095057260e+06 1.38 1.624384729e+06 1.624384729e+06 1.40 1.263948810e+06 1.263948810e+06 1.42 9.868935986e+05 9.868935986e+05 1.44 7.731535799e+05 7.731535799e+05 1.46 6.076757043e+05 6.076757043e+05 1.48 4.791221850e+05 4.791221850e+05 1.50 3.789204272e+05 3.789204272e+05 1.52 3.005644261e+05 3.005644261e+05 1.54 2.390984218e+05 2.390984218e+05 1.56 1.907340641e+05 1.907340641e+05 1.58 1.525653877e+05 1.525653877e+05 1.60 1.223560330e+05 1.223560330e+05 1.62 9.837904017e+04 9.837904017e+04 1.64 7.929660395e+04 7.929660395e+04 1.66 6.406918235e+04 6.406918235e+04 1.68 5.188661095e+04 5.188661095e+04 1.70 4.211551208e+04 4.211551208e+04 1.72 3.425941824e+04 3.425941824e+04 1.74 2.792799364e+04 2.792799364e+04 1.76 2.281353651e+04 2.281353651e+04 1.78 1.867285198e+04 1.867285198e+04 1.80 1.531321119e+04 1.531321119e+04 1.82 1.258149325e+04 1.258149325e+04 1.84 1.035574588e+04 1.035574588e+04 1.86 8.538585241e+03 8.538585241e+03 1.88 7.052129922e+03 7.052129922e+03 1.90 5.833898520e+03 5.833898520e+03 1.92 4.833654526e+03 4.833654526e+03 1.94 4.010924618e+03 4.010924618e+03 1.96 3.333032188e+03 3.333032188e+03 1.98 2.773540015e+03 2.773540015e+03 2.00 2.311003839e+03 2.311003839e+03 2.02 1.928024213e+03 1.928024213e+03 2.04 1.610432209e+03 1.610432209e+03 2.06 1.346675561e+03 1.346675561e+03 2.08 1.127319435e+03 1.127319435e+03 2.10 9.446376667e+02 9.446376667e+02 2.12 7.922963125e+02 7.922963125e+02 2.14 6.650922581e+02 6.650922581e+02 2.16 5.587471443e+02 5.587471443e+02 2.18 4.697330095e+02 4.697330095e+02 2.20 3.951441854e+02 3.951441854e+02 2.22 3.325751617e+02 3.325751617e+02 2.24 2.800346307e+02 2.800346307e+02 2.26 2.358713352e+02 2.358713352e+02 2.28 1.987149729e+02 1.987149729e+02 2.30 1.674256048e+02 1.674256048e+02 2.32 1.410533568e+02 1.410533568e+02 2.34 1.188064837e+02 1.188064837e+02 2.36 1.000266150e+02 1.000266150e+02 2.38 8.416276042e+01 8.416276042e+01 2.40 7.075262261e+01 7.075262261e+01 2.42 5.940903424e+01 5.940903424e+01 2.44 4.981077049e+01 4.981077049e+01 2.46 4.168566413e+01 4.168566413e+01 2.48 3.480508599e+01 3.480508599e+01 2.50 2.897681827e+01 2.897681827e+01 2.52 2.403903755e+01 2.403903755e+01 2.54 1.985524113e+01 1.985524113e+01 2.56 1.631034368e+01 1.631034368e+01 2.58 1.330765833e+01 1.330765833e+01 2.60 1.076496486e+01 1.076496486e+01 2.62 8.613020131e+00 8.613020131e+00 2.64 6.793193429e+00 6.793193429e+00 2.66 5.255874779e+00 5.255874779e+00 2.68 3.958875568e+00 3.958875568e+00 2.70 2.865803820e+00 2.865803820e+00 2.72 1.946427250e+00 1.946427250e+00 2.74 1.174692812e+00 1.174692812e+00 2.76 5.289994102e-01 5.289994102e-01 2.78 -9.507696356e-03 -9.507696356e-03 2.80 -4.562258373e-01 -4.562258373e-01 2.82 -8.248625205e-01 -8.248625205e-01 2.84 -1.127112588e+00 -1.127112588e+00 2.86 -1.373102393e+00 -1.373102393e+00 2.88 -1.571185510e+00 -1.571185510e+00 2.90 -1.728642580e+00 -1.728642580e+00 2.92 -1.851715504e+00 -1.851715504e+00 2.94 -1.945737227e+00 -1.945737227e+00 2.96 -2.015265013e+00 -2.015265013e+00 2.98 -2.064191539e+00 -2.064191539e+00 3.00 -2.095839300e+00 -2.095839300e+00 3.02 -2.113041026e+00 -2.113041026e+00 3.04 -2.118316045e+00 -2.118316045e+00 3.06 -2.113601939e+00 -2.113601939e+00 3.08 -2.100612617e+00 -2.100612617e+00 3.10 -2.080825872e+00 -2.080825872e+00 3.12 -2.055485815e+00 -2.055485815e+00 3.14 -2.025710141e+00 -2.025710141e+00 3.16 -1.992290905e+00 -1.992290905e+00 3.18 -1.955998856e+00 -1.955998856e+00 3.20 -1.917446625e+00 -1.917446625e+00 3.22 -1.877092619e+00 -1.877092619e+00 3.24 -1.835368535e+00 -1.835368535e+00 3.26 -1.792788700e+00 -1.792788700e+00 3.28 -1.749592845e+00 -1.749592845e+00 3.30 -1.705896447e+00 -1.705896447e+00 3.32 -1.661918213e+00 -1.661918213e+00 3.34 -1.617871508e+00 -1.617871508e+00 3.36 -1.573912062e+00 -1.573912062e+00 3.38 -1.530144633e+00 -1.530144633e+00 3.40 -1.486692820e+00 -1.486692820e+00 3.42 -1.443666046e+00 -1.443666046e+00 3.44 -1.401161841e+00 -1.401161841e+00 3.46 -1.359267488e+00 -1.359267488e+00 3.48 -1.318161080e+00 -1.318161080e+00 3.50 -1.277966330e+00 -1.277966330e+00 3.52 -1.238522539e+00 -1.238522539e+00 3.54 -1.199899154e+00 -1.199899154e+00 3.56 -1.162155424e+00 -1.162155424e+00 3.58 -1.125341689e+00 -1.125341689e+00 3.60 -1.089498484e+00 -1.089498484e+00 3.62 -1.054657959e+00 -1.054657959e+00 3.64 -1.020967209e+00 -1.020967209e+00 3.66 -9.883158991e-01 -9.883158991e-01 3.68 -9.567004219e-01 -9.567004219e-01 3.70 -9.261274334e-01 -9.261274334e-01 3.72 -8.967591879e-01 -8.967591879e-01 3.74 -8.684383754e-01 -8.684383754e-01 3.76 -8.411149163e-01 -8.411149163e-01 3.78 -8.147822526e-01 -8.147822526e-01 3.80 -7.894298808e-01 -7.894298808e-01 3.82 -7.650439088e-01 -7.650439088e-01 3.84 -7.416075520e-01 -7.416075520e-01 3.86 -7.191015651e-01 -7.191015651e-01 3.88 -6.975046126e-01 -6.975046126e-01 3.90 -6.767935814e-01 -6.767935814e-01 3.92 -6.569425514e-01 -6.569425514e-01 3.94 -6.379261392e-01 -6.379261392e-01 3.96 -6.197183729e-01 -6.197183729e-01 3.98 -6.022912188e-01 -6.022912188e-01 4.00 -5.856158308e-01 -5.856158308e-01 4.02 -5.696626812e-01 -5.696626812e-01 4.04 -5.546323534e-01 -5.546323534e-01 4.06 -5.402438044e-01 -5.402438044e-01 4.08 -5.264369104e-01 -5.264369104e-01 4.10 -5.131898502e-01 -5.131898502e-01 4.12 -5.004792762e-01 -5.004792762e-01 4.14 -4.882806124e-01 -4.882806124e-01 4.16 -4.765683479e-01 -4.765683479e-01 4.18 -4.653163179e-01 -4.653163179e-01 4.20 -4.544979666e-01 -4.544979666e-01 4.22 -4.440865894e-01 -4.440865894e-01 4.24 -4.340555500e-01 -4.340555500e-01 4.26 -4.243784716e-01 -4.243784716e-01 4.28 -4.150478316e-01 -4.150478316e-01 4.30 -4.060351058e-01 -4.060351058e-01 4.32 -3.972950458e-01 -3.972950458e-01 4.34 -3.888037343e-01 -3.888037343e-01 4.36 -3.805389787e-01 -3.805389787e-01 4.38 -3.724792173e-01 -3.724792173e-01 4.40 -3.646035342e-01 -3.646035342e-01 4.42 -3.568919112e-01 -3.568919112e-01 4.44 -3.493252474e-01 -3.493252474e-01 4.46 -3.418853730e-01 -3.418853730e-01 4.48 -3.345550618e-01 -3.345550618e-01 4.50 -3.274053186e-01 -3.274053186e-01 4.52 -3.205249520e-01 -3.205249520e-01 4.54 -3.136616086e-01 -3.136616086e-01 4.56 -3.068080736e-01 -3.068080736e-01 4.58 -2.999578916e-01 -2.999578916e-01 4.60 -2.931049082e-01 -2.931049082e-01 4.62 -2.862433029e-01 -2.862433029e-01 4.64 -2.793672029e-01 -2.793672029e-01 4.66 -2.724728884e-01 -2.724728884e-01 4.68 -2.655564877e-01 -2.655564877e-01 4.70 -2.586149521e-01 -2.586149521e-01 4.72 -2.516461394e-01 -2.516461394e-01 4.74 -2.446488854e-01 -2.446488854e-01 4.76 -2.376230636e-01 -2.376230636e-01 4.78 -2.305696323e-01 -2.305696323e-01 4.80 -2.234906659e-01 -2.234906659e-01 4.82 -2.163893714e-01 -2.163893714e-01 4.84 -2.092700893e-01 -2.092700893e-01 4.86 -2.021382774e-01 -2.021382774e-01 4.88 -1.950004784e-01 -1.950004784e-01 4.90 -1.878642719e-01 -1.878642719e-01 4.92 -1.807382098e-01 -1.807382098e-01 4.94 -1.736317376e-01 -1.736317376e-01 4.96 -1.665550082e-01 -1.665550082e-01 4.98 -1.595186598e-01 -1.595186598e-01 5.00 -1.525346727e-01 -1.525346727e-01 5.02 -1.456150158e-01 -1.456150158e-01 5.04 -1.387719806e-01 -1.387719806e-01 5.06 -1.320180432e-01 -1.320180432e-01 5.08 -1.253657249e-01 -1.253657249e-01 5.10 -1.188274509e-01 -1.188274509e-01 5.12 -1.124154123e-01 -1.124154123e-01 5.14 -1.061414303e-01 -1.061414303e-01 5.16 -1.000168277e-01 -1.000168277e-01 5.18 -9.405230736e-02 -9.405230736e-02 5.20 -8.825784166e-02 -8.825784166e-02 5.22 -8.264257191e-02 -8.264257191e-02 5.24 -7.722068879e-02 -7.722068879e-02 5.26 -7.206873517e-02 -7.206873517e-02 5.28 -6.710591996e-02 -6.710591996e-02 5.30 -6.233869394e-02 -6.233869394e-02 5.32 -5.777221707e-02 -5.777221707e-02 5.34 -5.341039386e-02 -5.341039386e-02 5.36 -4.925588414e-02 -4.925588414e-02 5.38 -4.531012756e-02 -4.531012756e-02 5.40 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