# 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 = Au2FeW # 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 3.638040302e+02 3.638040302e+02 1.30 3.361494443e+02 3.361494443e+02 1.32 3.106005810e+02 3.106005810e+02 1.34 2.869838054e+02 2.869838054e+02 1.36 2.651449664e+02 2.651449664e+02 1.38 2.449465879e+02 2.449465879e+02 1.40 2.262648116e+02 2.262648116e+02 1.42 2.089859335e+02 2.089859335e+02 1.44 1.930035757e+02 1.930035757e+02 1.46 1.782172243e+02 1.782172243e+02 1.48 1.645320355e+02 1.645320355e+02 1.50 1.518594566e+02 1.518594566e+02 1.52 1.401179706e+02 1.401179706e+02 1.54 1.292332669e+02 1.292332669e+02 1.56 1.191376859e+02 1.191376859e+02 1.58 1.097693217e+02 1.097693217e+02 1.60 1.010711980e+02 1.010711980e+02 1.62 9.299066783e+01 9.299066783e+01 1.64 8.547903242e+01 8.547903242e+01 1.66 7.849138459e+01 7.849138459e+01 1.68 7.198668660e+01 7.198668660e+01 1.70 6.592798793e+01 6.592798793e+01 1.72 6.028256831e+01 6.028256831e+01 1.74 5.502181695e+01 5.502181695e+01 1.76 5.012081045e+01 5.012081045e+01 1.78 4.555803711e+01 4.555803711e+01 1.80 4.131430466e+01 4.131430466e+01 1.82 3.737795557e+01 3.737795557e+01 1.84 3.375449315e+01 3.375449315e+01 1.86 3.042518573e+01 3.042518573e+01 1.88 2.736919699e+01 2.736919699e+01 1.90 2.456623306e+01 2.456623306e+01 1.92 2.199674017e+01 2.199674017e+01 1.94 1.964205585e+01 1.964205585e+01 1.96 1.748448014e+01 1.748448014e+01 1.98 1.550730630e+01 1.550730630e+01 2.00 1.369487193e+01 1.369487193e+01 2.02 1.203264640e+01 1.203264640e+01 2.04 1.050731149e+01 1.050731149e+01 2.06 9.106779948e+00 9.106779948e+00 2.08 7.820135386e+00 7.820135386e+00 2.10 6.637522774e+00 6.637522774e+00 2.12 5.550033975e+00 5.550033975e+00 2.14 4.549617482e+00 4.549617482e+00 2.16 3.629016329e+00 3.629016329e+00 2.18 2.781721061e+00 2.781721061e+00 2.20 2.001921514e+00 2.001921514e+00 2.22 1.284447806e+00 1.284447806e+00 2.24 6.246998717e-01 6.246998717e-01 2.26 1.857087120e-02 1.857087120e-02 2.28 -5.376282999e-01 -5.376282999e-01 2.30 -1.047237199e+00 -1.047237199e+00 2.32 -1.513303037e+00 -1.513303037e+00 2.34 -1.938599763e+00 -1.938599763e+00 2.36 -2.325638307e+00 -2.325638307e+00 2.38 -2.676921541e+00 -2.676921541e+00 2.40 -2.994783253e+00 -2.994783253e+00 2.42 -3.281390136e+00 -3.281390136e+00 2.44 -3.538765813e+00 -3.538765813e+00 2.46 -3.768814170e+00 -3.768814170e+00 2.48 -3.973340501e+00 -3.973340501e+00 2.50 -4.153922766e+00 -4.153922766e+00 2.52 -4.311864335e+00 -4.311864335e+00 2.54 -4.448484900e+00 -4.448484900e+00 2.56 -4.565141586e+00 -4.565141586e+00 2.58 -4.663214924e+00 -4.663214924e+00 2.60 -4.744087418e+00 -4.744087418e+00 2.62 -4.809114788e+00 -4.809114788e+00 2.64 -4.859593272e+00 -4.859593272e+00 2.66 -4.896729354e+00 -4.896729354e+00 2.68 -4.921619003e+00 -4.921619003e+00 2.70 -4.935241071e+00 -4.935241071e+00 2.72 -4.938465033e+00 -4.938465033e+00 2.74 -4.932069239e+00 -4.932069239e+00 2.76 -4.916763929e+00 -4.916763929e+00 2.78 -4.893213628e+00 -4.893213628e+00 2.80 -4.862145011e+00 -4.862145011e+00 2.82 -4.824241120e+00 -4.824241120e+00 2.84 -4.779937338e+00 -4.779937338e+00 2.86 -4.729697882e+00 -4.729697882e+00 2.88 -4.674011429e+00 -4.674011429e+00 2.90 -4.613379368e+00 -4.613379368e+00 2.92 -4.548296827e+00 -4.548296827e+00 2.94 -4.479062139e+00 -4.479062139e+00 2.96 -4.405792364e+00 -4.405792364e+00 2.98 -4.328635218e+00 -4.328635218e+00 3.00 -4.247795245e+00 -4.247795245e+00 3.02 -4.163532197e+00 -4.163532197e+00 3.04 -4.076152850e+00 -4.076152850e+00 3.06 -3.985997813e+00 -3.985997813e+00 3.08 -3.893424159e+00 -3.893424159e+00 3.10 -3.798786229e+00 -3.798786229e+00 3.12 -3.702417789e+00 -3.702417789e+00 3.14 -3.604618587e+00 -3.604618587e+00 3.16 -3.505647305e+00 -3.505647305e+00 3.18 -3.405721423e+00 -3.405721423e+00 3.20 -3.305023070e+00 -3.305023070e+00 3.22 -3.203709014e+00 -3.203709014e+00 3.24 -3.101922659e+00 -3.101922659e+00 3.26 -2.999806131e+00 -2.999806131e+00 3.28 -2.897511051e+00 -2.897511051e+00 3.30 -2.795207174e+00 -2.795207174e+00 3.32 -2.693088552e+00 -2.693088552e+00 3.34 -2.591377185e+00 -2.591377185e+00 3.36 -2.490324268e+00 -2.490324268e+00 3.38 -2.390209126e+00 -2.390209126e+00 3.40 -2.291335881e+00 -2.291335881e+00 3.42 -2.194027827e+00 -2.194027827e+00 3.44 -2.098619566e+00 -2.098619566e+00 3.46 -2.005447115e+00 -2.005447115e+00 3.48 -1.914836495e+00 -1.914836495e+00 3.50 -1.827091570e+00 -1.827091570e+00 3.52 -1.742482201e+00 -1.742482201e+00 3.54 -1.661233799e+00 -1.661233799e+00 3.56 -1.583519327e+00 -1.583519327e+00 3.58 -1.509454436e+00 -1.509454436e+00 3.60 -1.439096098e+00 -1.439096098e+00 3.62 -1.372444593e+00 -1.372444593e+00 3.64 -1.309448391e+00 -1.309448391e+00 3.66 -1.250011177e+00 -1.250011177e+00 3.68 -1.194000185e+00 -1.194000185e+00 3.70 -1.141255004e+00 -1.141255004e+00 3.72 -1.091596165e+00 -1.091596165e+00 3.74 -1.044832968e+00 -1.044832968e+00 3.76 -1.000770229e+00 -1.000770229e+00 3.78 -9.592137835e-01 -9.592137835e-01 3.80 -9.199747177e-01 -9.199747177e-01 3.82 -8.828724295e-01 -8.828724295e-01 3.84 -8.477366478e-01 -8.477366478e-01 3.86 -8.144085947e-01 -8.144085947e-01 3.88 -7.827414663e-01 -7.827414663e-01 3.90 -7.526004044e-01 -7.526004044e-01 3.92 -7.238621066e-01 -7.238621066e-01 3.94 -6.964142067e-01 -6.964142067e-01 3.96 -6.701545183e-01 -6.701545183e-01 3.98 -6.449902355e-01 -6.449902355e-01 4.00 -6.208371433e-01 -6.208371433e-01 4.02 -5.976188864e-01 -5.976188864e-01 4.04 -5.752663306e-01 -5.752663306e-01 4.06 -5.537170366e-01 -5.537170366e-01 4.08 -5.329148601e-01 -5.329148601e-01 4.10 -5.128096772e-01 -5.128096772e-01 4.12 -4.933572403e-01 -4.933572403e-01 4.14 -4.745191122e-01 -4.745191122e-01 4.16 -4.562626891e-01 -4.562626891e-01 4.18 -4.385612311e-01 -4.385612311e-01 4.20 -4.213938545e-01 -4.213938545e-01 4.22 -4.047454129e-01 -4.047454129e-01 4.24 -3.886061977e-01 -3.886061977e-01 4.26 -3.729713970e-01 -3.729713970e-01 4.28 -3.578402777e-01 -3.578402777e-01 4.30 -3.432150905e-01 -3.432150905e-01 4.32 -3.290997456e-01 -3.290997456e-01 4.34 -3.154983514e-01 -3.154983514e-01 4.36 -3.024137434e-01 -3.024137434e-01 4.38 -2.898461481e-01 -2.898461481e-01 4.40 -2.777921089e-01 -2.777921089e-01 4.42 -2.662437768e-01 -2.662437768e-01 4.44 -2.551886070e-01 -2.551886070e-01 4.46 -2.446094513e-01 -2.446094513e-01 4.48 -2.344847396e-01 -2.344847396e-01 4.50 -2.247894306e-01 -2.247894306e-01 4.52 -2.154963725e-01 -2.154963725e-01 4.54 -2.065764189e-01 -2.065764189e-01 4.56 -1.979993056e-01 -1.979993056e-01 4.58 -1.897344464e-01 -1.897344464e-01 4.60 -1.817516060e-01 -1.817516060e-01 4.62 -1.740214478e-01 -1.740214478e-01 4.64 -1.665159724e-01 -1.665159724e-01 4.66 -1.592088704e-01 -1.592088704e-01 4.68 -1.520758180e-01 -1.520758180e-01 4.70 -1.450947412e-01 -1.450947412e-01 4.72 -1.382460711e-01 -1.382460711e-01 4.74 -1.315130056e-01 -1.315130056e-01 4.76 -1.248817849e-01 -1.248817849e-01 4.78 -1.183419777e-01 -1.183419777e-01 4.80 -1.118867645e-01 -1.118867645e-01 4.82 -1.055132026e-01 -1.055132026e-01 4.84 -9.922242373e-02 -9.922242373e-02 4.86 -9.301974826e-02 -9.301974826e-02 4.88 -8.691465862e-02 -8.691465862e-02 4.90 -8.092059869e-02 -8.092059869e-02 4.92 -7.505456892e-02 -7.505456892e-02 4.94 -6.933650293e-02 -6.933650293e-02 4.96 -6.378843345e-02 -6.378843345e-02 4.98 -5.843348117e-02 -5.843348117e-02 5.00 -5.329472494e-02 -5.329472494e-02 5.02 -4.839403263e-02 -4.839403263e-02 5.04 -4.375094300e-02 -4.375094300e-02 5.06 -3.938168849e-02 -3.938168849e-02 5.08 -3.529843572e-02 -3.529843572e-02 5.10 -3.150879747e-02 -3.150879747e-02 5.12 -2.801563551e-02 -2.801563551e-02 5.14 -2.481714976e-02 -2.481714976e-02 5.16 -2.190721913e-02 -2.190721913e-02 5.18 -1.927593413e-02 -1.927593413e-02 5.20 -1.691021800e-02 -1.691021800e-02 5.22 -1.479412368e-02 -1.479412368e-02 5.24 -1.291075742e-02 -1.291075742e-02 5.26 -1.124232633e-02 -1.124232633e-02 5.28 -9.770506428e-03 -9.770506428e-03 5.30 -8.477008478e-03 -8.477008478e-03 5.32 -7.344024741e-03 -7.344024741e-03 5.34 -6.354561614e-03 -6.354561614e-03 5.36 -5.492669727e-03 -5.492669727e-03 5.38 -4.743586411e-03 -4.743586411e-03 5.40 -4.093806657e-03 -4.093806657e-03 5.42 -3.531098213e-03 -3.531098213e-03 5.44 -3.044475061e-03 -3.044475061e-03 5.46 -2.624141504e-03 -2.624141504e-03 5.48 -2.261416992e-03 -2.261416992e-03 5.50 -1.948649680e-03 -1.948649680e-03 5.52 -1.679124887e-03 -1.679124887e-03 5.54 -1.446972956e-03 -1.446972956e-03 5.56 -1.247079694e-03 -1.247079694e-03 5.58 -1.075001516e-03 -1.075001516e-03 5.60 -9.268865784e-04 -9.268865784e-04 5.62 -7.994025749e-04 -7.994025749e-04 5.64 -6.896714188e-04 -6.896714188e-04 5.66 -5.952107307e-04 -5.952107307e-04 5.68 -5.138818345e-04 -5.138818345e-04 5.70 -4.438438390e-04 -4.438438390e-04 5.72 -3.835133145e-04 -3.835133145e-04 5.74 -3.315290411e-04 -3.315290411e-04 5.76 -2.867213077e-04 -2.867213077e-04 5.78 -2.480852581e-04 -2.480852581e-04 5.80 -2.147578113e-04 -2.147578113e-04 5.82 -1.859977210e-04 -1.859977210e-04 5.84 -1.611683781e-04 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