# 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 = FePb2Ti # 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 3.638322415e+02 3.638322415e+02 1.30 3.387181541e+02 3.387181541e+02 1.32 3.154142717e+02 3.154142717e+02 1.34 2.937806069e+02 2.937806069e+02 1.36 2.736863856e+02 2.736863856e+02 1.38 2.550094911e+02 2.550094911e+02 1.40 2.376377122e+02 2.376377122e+02 1.42 2.214697874e+02 2.214697874e+02 1.44 2.064148797e+02 2.064148797e+02 1.46 1.923908026e+02 1.923908026e+02 1.48 1.793222010e+02 1.793222010e+02 1.50 1.671394213e+02 1.671394213e+02 1.52 1.557779319e+02 1.557779319e+02 1.54 1.451779817e+02 1.451779817e+02 1.56 1.352841935e+02 1.352841935e+02 1.58 1.260451656e+02 1.260451656e+02 1.60 1.174131927e+02 1.174131927e+02 1.62 1.093442857e+02 1.093442857e+02 1.64 1.017983135e+02 1.017983135e+02 1.66 9.473911886e+01 9.473911886e+01 1.68 8.813441345e+01 8.813441345e+01 1.70 8.195537465e+01 8.195537465e+01 1.72 7.617595789e+01 7.617595789e+01 1.74 7.077212566e+01 7.077212566e+01 1.76 6.572284659e+01 6.572284659e+01 1.78 6.101719754e+01 6.101719754e+01 1.80 5.663314756e+01 5.663314756e+01 1.82 5.254755998e+01 5.254755998e+01 1.84 4.873864656e+01 4.873864656e+01 1.86 4.518624884e+01 4.518624884e+01 1.88 4.187193242e+01 4.187193242e+01 1.90 3.877890461e+01 3.877890461e+01 1.92 3.589182136e+01 3.589182136e+01 1.94 3.319658733e+01 3.319658733e+01 1.96 3.068013390e+01 3.068013390e+01 1.98 2.833024128e+01 2.833024128e+01 2.00 2.613541760e+01 2.613541760e+01 2.02 2.408485649e+01 2.408485649e+01 2.04 2.216845461e+01 2.216845461e+01 2.06 2.037685932e+01 2.037685932e+01 2.08 1.870151575e+01 1.870151575e+01 2.10 1.713467136e+01 1.713467136e+01 2.12 1.566933944e+01 1.566933944e+01 2.14 1.429920148e+01 1.429920148e+01 2.16 1.301848587e+01 1.301848587e+01 2.18 1.182184846e+01 1.182184846e+01 2.20 1.070427113e+01 1.070427113e+01 2.22 9.660997082e+00 9.660997082e+00 2.24 8.687497064e+00 8.687497064e+00 2.26 7.779463492e+00 7.779463492e+00 2.28 6.932823053e+00 6.932823053e+00 2.30 6.143746167e+00 6.143746167e+00 2.32 5.408642783e+00 5.408642783e+00 2.34 4.724154667e+00 4.724154667e+00 2.36 4.087123078e+00 4.087123078e+00 2.38 3.494566898e+00 3.494566898e+00 2.40 2.943667177e+00 2.943667177e+00 2.42 2.431761654e+00 2.431761654e+00 2.44 1.956344682e+00 1.956344682e+00 2.46 1.515070296e+00 1.515070296e+00 2.48 1.105752250e+00 1.105752250e+00 2.50 7.263591682e-01 7.263591682e-01 2.52 3.750045721e-01 3.750045721e-01 2.54 4.993384534e-02 4.993384534e-02 2.56 -2.504892299e-01 -2.504892299e-01 2.58 -5.278021605e-01 -5.278021605e-01 2.60 -7.834889131e-01 -7.834889131e-01 2.62 -1.018854393e+00 -1.018854393e+00 2.64 -1.235118459e+00 -1.235118459e+00 2.66 -1.433435720e+00 -1.433435720e+00 2.68 -1.614902932e+00 -1.614902932e+00 2.70 -1.780559777e+00 -1.780559777e+00 2.72 -1.931390676e+00 -1.931390676e+00 2.74 -2.068322324e+00 -2.068322324e+00 2.76 -2.192152716e+00 -2.192152716e+00 2.78 -2.303579227e+00 -2.303579227e+00 2.80 -2.403280777e+00 -2.403280777e+00 2.82 -2.491922974e+00 -2.491922974e+00 2.84 -2.570152825e+00 -2.570152825e+00 2.86 -2.638604703e+00 -2.638604703e+00 2.88 -2.697901530e+00 -2.697901530e+00 2.90 -2.748652488e+00 -2.748652488e+00 2.92 -2.791449315e+00 -2.791449315e+00 2.94 -2.826862026e+00 -2.826862026e+00 2.96 -2.855435256e+00 -2.855435256e+00 2.98 -2.877684887e+00 -2.877684887e+00 3.00 -2.894050811e+00 -2.894050811e+00 3.02 -2.904895235e+00 -2.904895235e+00 3.04 -2.910569780e+00 -2.910569780e+00 3.06 -2.911420012e+00 -2.911420012e+00 3.08 -2.907778515e+00 -2.907778515e+00 3.10 -2.899965187e+00 -2.899965187e+00 3.12 -2.888284109e+00 -2.888284109e+00 3.14 -2.873028934e+00 -2.873028934e+00 3.16 -2.854476772e+00 -2.854476772e+00 3.18 -2.832895920e+00 -2.832895920e+00 3.20 -2.808548979e+00 -2.808548979e+00 3.22 -2.781766877e+00 -2.781766877e+00 3.24 -2.752745779e+00 -2.752745779e+00 3.26 -2.721628672e+00 -2.721628672e+00 3.28 -2.688570703e+00 -2.688570703e+00 3.30 -2.653735313e+00 -2.653735313e+00 3.32 -2.617291125e+00 -2.617291125e+00 3.34 -2.579409239e+00 -2.579409239e+00 3.36 -2.540254817e+00 -2.540254817e+00 3.38 -2.499967413e+00 -2.499967413e+00 3.40 -2.458682889e+00 -2.458682889e+00 3.42 -2.416539976e+00 -2.416539976e+00 3.44 -2.373675110e+00 -2.373675110e+00 3.46 -2.330221599e+00 -2.330221599e+00 3.48 -2.286307935e+00 -2.286307935e+00 3.50 -2.242057166e+00 -2.242057166e+00 3.52 -2.197586586e+00 -2.197586586e+00 3.54 -2.153007339e+00 -2.153007339e+00 3.56 -2.108423683e+00 -2.108423683e+00 3.58 -2.063931863e+00 -2.063931863e+00 3.60 -2.019618882e+00 -2.019618882e+00 3.62 -1.975561582e+00 -1.975561582e+00 3.64 -1.931826451e+00 -1.931826451e+00 3.66 -1.888470351e+00 -1.888470351e+00 3.68 -1.845542033e+00 -1.845542033e+00 3.70 -1.803084070e+00 -1.803084070e+00 3.72 -1.761134702e+00 -1.761134702e+00 3.74 -1.719729200e+00 -1.719729200e+00 3.76 -1.678900510e+00 -1.678900510e+00 3.78 -1.638679201e+00 -1.638679201e+00 3.80 -1.599092931e+00 -1.599092931e+00 3.82 -1.560165700e+00 -1.560165700e+00 3.84 -1.521917203e+00 -1.521917203e+00 3.86 -1.484362470e+00 -1.484362470e+00 3.88 -1.447511873e+00 -1.447511873e+00 3.90 -1.411371472e+00 -1.411371472e+00 3.92 -1.375942844e+00 -1.375942844e+00 3.94 -1.341226965e+00 -1.341226965e+00 3.96 -1.307219910e+00 -1.307219910e+00 3.98 -1.273916982e+00 -1.273916982e+00 4.00 -1.241312276e+00 -1.241312276e+00 4.02 -1.209399028e+00 -1.209399028e+00 4.04 -1.178169842e+00 -1.178169842e+00 4.06 -1.147616810e+00 -1.147616810e+00 4.08 -1.117731562e+00 -1.117731562e+00 4.10 -1.088502908e+00 -1.088502908e+00 4.12 -1.059926687e+00 -1.059926687e+00 4.14 -1.031990222e+00 -1.031990222e+00 4.16 -1.004683205e+00 -1.004683205e+00 4.18 -9.779948150e-01 -9.779948150e-01 4.20 -9.519137583e-01 -9.519137583e-01 4.22 -9.264283239e-01 -9.264283239e-01 4.24 -9.015264703e-01 -9.015264703e-01 4.26 -8.771959340e-01 -8.771959340e-01 4.28 -8.534243545e-01 -8.534243545e-01 4.30 -8.301994097e-01 -8.301994097e-01 4.32 -8.075089516e-01 -8.075089516e-01 4.34 -7.853411349e-01 -7.853411349e-01 4.36 -7.636845273e-01 -7.636845273e-01 4.38 -7.425281954e-01 -7.425281954e-01 4.40 -7.218617589e-01 -7.218617589e-01 4.42 -7.016754103e-01 -7.016754103e-01 4.44 -6.819598997e-01 -6.819598997e-01 4.46 -6.627064875e-01 -6.627064875e-01 4.48 -6.439068688e-01 -6.439068688e-01 4.50 -6.255530792e-01 -6.255530792e-01 4.52 -6.076373862e-01 -6.076373862e-01 4.54 -5.901521783e-01 -5.901521783e-01 4.56 -5.730898550e-01 -5.730898550e-01 4.58 -5.564427282e-01 -5.564427282e-01 4.60 -5.402029351e-01 -5.402029351e-01 4.62 -5.243623704e-01 -5.243623704e-01 4.64 -5.089126368e-01 -5.089126368e-01 4.66 -4.938450154e-01 -4.938450154e-01 4.68 -4.791504587e-01 -4.791504587e-01 4.70 -4.648196030e-01 -4.648196030e-01 4.72 -4.508428038e-01 -4.508428038e-01 4.74 -4.372101921e-01 -4.372101921e-01 4.76 -4.239117531e-01 -4.239117531e-01 4.78 -4.109374277e-01 -4.109374277e-01 4.80 -3.982757212e-01 -3.982757212e-01 4.82 -3.859201440e-01 -3.859201440e-01 4.84 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