# 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 = AlTi2W # 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 2.570083316e+02 2.570083316e+02 1.30 2.380894866e+02 2.380894866e+02 1.32 2.205845316e+02 2.205845316e+02 1.34 2.043812970e+02 2.043812970e+02 1.36 1.893760754e+02 1.893760754e+02 1.38 1.754734789e+02 1.754734789e+02 1.40 1.625855318e+02 1.625855318e+02 1.42 1.506306278e+02 1.506306278e+02 1.44 1.395331040e+02 1.395331040e+02 1.46 1.292234280e+02 1.292234280e+02 1.48 1.196385932e+02 1.196385932e+02 1.50 1.107223737e+02 1.107223737e+02 1.52 1.024250969e+02 1.024250969e+02 1.54 9.470286122e+01 9.470286122e+01 1.56 8.751653016e+01 8.751653016e+01 1.58 8.083074776e+01 8.083074776e+01 1.60 7.461300348e+01 7.461300348e+01 1.62 6.883281980e+01 6.883281980e+01 1.64 6.346116094e+01 6.346116094e+01 1.66 5.847006964e+01 5.847006964e+01 1.68 5.383256309e+01 5.383256309e+01 1.70 4.952284276e+01 4.952284276e+01 1.72 4.551669669e+01 4.551669669e+01 1.74 4.179179772e+01 4.179179772e+01 1.76 3.832768796e+01 3.832768796e+01 1.78 3.510552818e+01 3.510552818e+01 1.80 3.210785735e+01 3.210785735e+01 1.82 2.931852203e+01 2.931852203e+01 1.84 2.672312047e+01 2.672312047e+01 1.86 2.430851454e+01 2.430851454e+01 1.88 2.206274264e+01 2.206274264e+01 1.90 1.997517926e+01 1.997517926e+01 1.92 1.803643178e+01 1.803643178e+01 1.94 1.623636421e+01 1.623636421e+01 1.96 1.456531071e+01 1.456531071e+01 1.98 1.301416993e+01 1.301416993e+01 2.00 1.157449129e+01 1.157449129e+01 2.02 1.023849111e+01 1.023849111e+01 2.04 8.998977559e+00 8.998977559e+00 2.06 7.849230127e+00 7.849230127e+00 2.08 6.782895823e+00 6.782895823e+00 2.10 5.793938414e+00 5.793938414e+00 2.12 4.876639141e+00 4.876639141e+00 2.14 4.025627645e+00 4.025627645e+00 2.16 3.235922079e+00 3.235922079e+00 2.18 2.502961194e+00 2.502961194e+00 2.20 1.822615031e+00 1.822615031e+00 2.22 1.191166207e+00 1.191166207e+00 2.24 6.052670784e-01 6.052670784e-01 2.26 6.188757436e-02 6.188757436e-02 2.28 -4.417309476e-01 -4.417309476e-01 2.30 -9.081074733e-01 -9.081074733e-01 2.32 -1.339542569e+00 -1.339542569e+00 2.34 -1.738133090e+00 -1.738133090e+00 2.36 -2.105789337e+00 -2.105789337e+00 2.38 -2.444258797e+00 -2.444258797e+00 2.40 -2.755158817e+00 -2.755158817e+00 2.42 -3.040014437e+00 -3.040014437e+00 2.44 -3.300293753e+00 -3.300293753e+00 2.46 -3.537434649e+00 -3.537434649e+00 2.48 -3.752851403e+00 -3.752851403e+00 2.50 -3.947881809e+00 -3.947881809e+00 2.52 -4.123949382e+00 -4.123949382e+00 2.54 -4.282460592e+00 -4.282460592e+00 2.56 -4.424756982e+00 -4.424756982e+00 2.58 -4.552104562e+00 -4.552104562e+00 2.60 -4.665686350e+00 -4.665686350e+00 2.62 -4.766595644e+00 -4.766595644e+00 2.64 -4.855828799e+00 -4.855828799e+00 2.66 -4.934271883e+00 -4.934271883e+00 2.68 -5.002589705e+00 -5.002589705e+00 2.70 -5.061268456e+00 -5.061268456e+00 2.72 -5.110744789e+00 -5.110744789e+00 2.74 -5.151418949e+00 -5.151418949e+00 2.76 -5.183665270e+00 -5.183665270e+00 2.78 -5.207903524e+00 -5.207903524e+00 2.80 -5.224503391e+00 -5.224503391e+00 2.82 -5.233711607e+00 -5.233711607e+00 2.84 -5.235791440e+00 -5.235791440e+00 2.86 -5.231019949e+00 -5.231019949e+00 2.88 -5.219685669e+00 -5.219685669e+00 2.90 -5.202089007e+00 -5.202089007e+00 2.92 -5.179349465e+00 -5.179349465e+00 2.94 -5.152086226e+00 -5.152086226e+00 2.96 -5.120015333e+00 -5.120015333e+00 2.98 -5.082843741e+00 -5.082843741e+00 3.00 -5.040414830e+00 -5.040414830e+00 3.02 -4.992721509e+00 -4.992721509e+00 3.04 -4.939913034e+00 -4.939913034e+00 3.06 -4.882295532e+00 -4.882295532e+00 3.08 -4.820257482e+00 -4.820257482e+00 3.10 -4.754223807e+00 -4.754223807e+00 3.12 -4.684617862e+00 -4.684617862e+00 3.14 -4.611831081e+00 -4.611831081e+00 3.16 -4.536202990e+00 -4.536202990e+00 3.18 -4.458014053e+00 -4.458014053e+00 3.20 -4.377487918e+00 -4.377487918e+00 3.22 -4.294800425e+00 -4.294800425e+00 3.24 -4.210092094e+00 -4.210092094e+00 3.26 -4.123481697e+00 -4.123481697e+00 3.28 -4.035079442e+00 -4.035079442e+00 3.30 -3.944999022e+00 -3.944999022e+00 3.32 -3.853368236e+00 -3.853368236e+00 3.34 -3.760338008e+00 -3.760338008e+00 3.36 -3.666089672e+00 -3.666089672e+00 3.38 -3.570840239e+00 -3.570840239e+00 3.40 -3.474845333e+00 -3.474845333e+00 3.42 -3.378399604e+00 -3.378399604e+00 3.44 -3.281834008e+00 -3.281834008e+00 3.46 -3.185510411e+00 -3.185510411e+00 3.48 -3.089813211e+00 -3.089813211e+00 3.50 -2.995138447e+00 -2.995138447e+00 3.52 -2.901880854e+00 -2.901880854e+00 3.54 -2.810419531e+00 -2.810419531e+00 3.56 -2.721103175e+00 -2.721103175e+00 3.58 -2.634236094e+00 -2.634236094e+00 3.60 -2.550066459e+00 -2.550066459e+00 3.62 -2.468778205e+00 -2.468778205e+00 3.64 -2.390487608e+00 -2.390487608e+00 3.66 -2.315244830e+00 -2.315244830e+00 3.68 -2.243039892e+00 -2.243039892e+00 3.70 -2.173811874e+00 -2.173811874e+00 3.72 -2.107459808e+00 -2.107459808e+00 3.74 -2.043853831e+00 -2.043853831e+00 3.76 -1.982845485e+00 -1.982845485e+00 3.78 -1.924276490e+00 -1.924276490e+00 3.80 -1.867985729e+00 -1.867985729e+00 3.82 -1.813814465e+00 -1.813814465e+00 3.84 -1.761609996e+00 -1.761609996e+00 3.86 -1.711228015e+00 -1.711228015e+00 3.88 -1.662533965e+00 -1.662533965e+00 3.90 -1.615403648e+00 -1.615403648e+00 3.92 -1.569723236e+00 -1.569723236e+00 3.94 -1.525389187e+00 -1.525389187e+00 3.96 -1.482307362e+00 -1.482307362e+00 3.98 -1.440392579e+00 -1.440392579e+00 4.00 -1.399567808e+00 -1.399567808e+00 4.02 -1.359763425e+00 -1.359763425e+00 4.04 -1.320916543e+00 -1.320916543e+00 4.06 -1.282970446e+00 -1.282970446e+00 4.08 -1.245874195e+00 -1.245874195e+00 4.10 -1.209582267e+00 -1.209582267e+00 4.12 -1.174055212e+00 -1.174055212e+00 4.14 -1.139258853e+00 -1.139258853e+00 4.16 -1.105165387e+00 -1.105165387e+00 4.18 -1.071753700e+00 -1.071753700e+00 4.20 -1.039009871e+00 -1.039009871e+00 4.22 -1.006927559e+00 -1.006927559e+00 4.24 -9.755081255e-01 -9.755081255e-01 4.26 -9.447603540e-01 -9.447603540e-01 4.28 -9.146996529e-01 -9.146996529e-01 4.30 -8.853467000e-01 -8.853467000e-01 4.32 -8.567255580e-01 -8.567255580e-01 4.34 -8.288613895e-01 -8.288613895e-01 4.36 -8.017779769e-01 -8.017779769e-01 4.38 -7.754952996e-01 -7.754952996e-01 4.40 -7.500274274e-01 -7.500274274e-01 4.42 -7.253809365e-01 -7.253809365e-01 4.44 -7.015539786e-01 -7.015539786e-01 4.46 -6.785360306e-01 -6.785360306e-01 4.48 -6.563082613e-01 -6.563082613e-01 4.50 -6.348443866e-01 -6.348443866e-01 4.52 -6.141118469e-01 -6.141118469e-01 4.54 -5.940731416e-01 -5.940731416e-01 4.56 -5.746871809e-01 -5.746871809e-01 4.58 -5.559105494e-01 -5.559105494e-01 4.60 -5.376986221e-01 -5.376986221e-01 4.62 -5.200065084e-01 -5.200065084e-01 4.64 -5.027898316e-01 -5.027898316e-01 4.66 -4.860053715e-01 -4.860053715e-01 4.68 -4.696116072e-01 -4.696116072e-01 4.70 -4.535692051e-01 -4.535692051e-01 4.72 -4.378414901e-01 -4.378414901e-01 4.74 -4.223949351e-01 -4.223949351e-01 4.76 -4.071996908e-01 -4.071996908e-01 4.78 -3.922301682e-01 -3.922301682e-01 4.80 -3.774655792e-01 -3.774655792e-01 4.82 -3.628909479e-01 -3.628909479e-01 4.84 -3.484971787e-01 -3.484971787e-01 4.86 -3.342820070e-01 -3.342820070e-01 4.88 -3.202503013e-01 -3.202503013e-01 4.90 -3.064142379e-01 -3.064142379e-01 4.92 -2.927931648e-01 -2.927931648e-01 4.94 -2.794130862e-01 -2.794130862e-01 4.96 -2.663057291e-01 -2.663057291e-01 4.98 -2.535071922e-01 -2.535071922e-01 5.00 -2.410562251e-01 -2.410562251e-01 5.02 -2.289922384e-01 -2.289922384e-01 5.04 -2.173531894e-01 -2.173531894e-01 5.06 -2.061735142e-01 -2.061735142e-01 5.08 -1.954822834e-01 -1.954822834e-01 5.10 -1.853017374e-01 -1.853017374e-01 5.12 -1.756463109e-01 -1.756463109e-01 5.14 -1.665221987e-01 -1.665221987e-01 5.16 -1.579274520e-01 -1.579274520e-01 5.18 -1.498525374e-01 -1.498525374e-01 5.20 -1.422812524e-01 -1.422812524e-01 5.22 -1.351918721e-01 -1.351918721e-01 5.24 -1.285583991e-01 -1.285583991e-01 5.26 -1.223518146e-01 -1.223518146e-01 5.28 -1.165412396e-01 -1.165412396e-01 5.30 -1.110948600e-01 -1.110948600e-01 5.32 -1.059805193e-01 -1.059805193e-01 5.34 -1.011674638e-01 -1.011674638e-01 5.36 -9.662604113e-02 -9.662604113e-02 5.38 -9.232796211e-02 -9.232796211e-02 5.40 -8.824657719e-02 -8.824657719e-02 5.42 -8.435703612e-02 -8.435703612e-02 5.44 -8.063636427e-02 -8.063636427e-02 5.46 -7.706348434e-02 -7.706348434e-02 5.48 -7.361920754e-02 -7.361920754e-02 5.50 -7.028621340e-02 -7.028621340e-02 5.52 -6.704903277e-02 -6.704903277e-02 5.54 -6.389404377e-02 -6.389404377e-02 5.56 -6.080948668e-02 -6.080948668e-02 5.58 -5.778549889e-02 -5.778549889e-02 5.60 -5.481416733e-02 -5.481416733e-02 5.62 -5.188959121e-02 -5.188959121e-02 5.64 -4.900794403e-02 -4.900794403e-02 5.66 -4.616751982e-02 -4.616751982e-02 5.68 -4.336874855e-02 -4.336874855e-02 5.70 -4.061415833e-02 -4.061415833e-02 5.72 -3.790826934e-02 -3.790826934e-02 5.74 -3.525740562e-02 -3.525740562e-02 5.76 -3.266941715e-02 -3.266941715e-02 5.78 -3.015331459e-02 -3.015331459e-02 5.80 -2.771882366e-02 -2.771882366e-02 5.82 -2.537589111e-02 -2.537589111e-02 5.84 -2.313416854e-02 -2.313416854e-02 5.86 -2.100250964e-02 -2.100250964e-02 5.88 -1.898851997e-02 -1.898851997e-02 5.90 -1.709819230e-02 -1.709819230e-02 5.92 -1.533554762e-02 -1.533554762e-02 5.94 -1.370246730e-02 -1.370246730e-02 5.96 -1.219924670e-02 -1.219924670e-02 5.98 -1.082424356e-02 -1.082424356e-02 6.00 -9.574045079e-03 -9.574045079e-03