# 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 = Mo2PdPt # 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 3.672915660e+02 3.672915660e+02 1.30 3.417474586e+02 3.417474586e+02 1.32 3.179433970e+02 3.179433970e+02 1.34 2.957466194e+02 2.957466194e+02 1.36 2.750513617e+02 2.750513617e+02 1.38 2.557687155e+02 2.557687155e+02 1.40 2.378155364e+02 2.378155364e+02 1.42 2.211066405e+02 2.211066405e+02 1.44 2.055525178e+02 2.055525178e+02 1.46 1.910623435e+02 1.910623435e+02 1.48 1.775492213e+02 1.775492213e+02 1.50 1.649338545e+02 1.649338545e+02 1.52 1.531451452e+02 1.531451452e+02 1.54 1.421188678e+02 1.421188678e+02 1.56 1.317961532e+02 1.317961532e+02 1.58 1.221224741e+02 1.221224741e+02 1.60 1.130469695e+02 1.130469695e+02 1.62 1.045220106e+02 1.045220106e+02 1.64 9.650320126e+01 9.650320126e+01 1.66 8.894993275e+01 8.894993275e+01 1.68 8.182630772e+01 8.182630772e+01 1.70 7.510202412e+01 7.510202412e+01 1.72 6.875276873e+01 6.875276873e+01 1.74 6.275982804e+01 6.275982804e+01 1.76 5.710900756e+01 5.710900756e+01 1.78 5.178966305e+01 5.178966305e+01 1.80 4.679655101e+01 4.679655101e+01 1.82 4.215619279e+01 4.215619279e+01 1.84 3.791608098e+01 3.791608098e+01 1.86 3.405120516e+01 3.405120516e+01 1.88 3.053272932e+01 3.053272932e+01 1.90 2.733102099e+01 2.733102099e+01 1.92 2.441656251e+01 2.441656251e+01 1.94 2.176097276e+01 2.176097276e+01 1.96 1.933791229e+01 1.933791229e+01 1.98 1.712368510e+01 1.712368510e+01 2.00 1.509744926e+01 1.509744926e+01 2.02 1.324107571e+01 1.324107571e+01 2.04 1.153878591e+01 1.153878591e+01 2.06 9.976716654e+00 9.976716654e+00 2.08 8.542521136e+00 8.542521136e+00 2.10 7.225061416e+00 7.225061416e+00 2.12 6.014207038e+00 6.014207038e+00 2.14 4.900730342e+00 4.900730342e+00 2.16 3.876272755e+00 3.876272755e+00 2.18 2.933344653e+00 2.933344653e+00 2.20 2.065319647e+00 2.065319647e+00 2.22 1.266396429e+00 1.266396429e+00 2.24 5.315219926e-01 5.315219926e-01 2.26 -1.437128278e-01 -1.437128278e-01 2.28 -7.631879550e-01 -7.631879550e-01 2.30 -1.330364002e+00 -1.330364002e+00 2.32 -1.848379296e+00 -1.848379296e+00 2.34 -2.320131371e+00 -2.320131371e+00 2.36 -2.748343474e+00 -2.748343474e+00 2.38 -3.135617415e+00 -3.135617415e+00 2.40 -3.484473976e+00 -3.484473976e+00 2.42 -3.797381806e+00 -3.797381806e+00 2.44 -4.076775623e+00 -4.076775623e+00 2.46 -4.325064277e+00 -4.325064277e+00 2.48 -4.544628202e+00 -4.544628202e+00 2.50 -4.737804318e+00 -4.737804318e+00 2.52 -4.906855839e+00 -4.906855839e+00 2.54 -5.053926886e+00 -5.053926886e+00 2.56 -5.180965426e+00 -5.180965426e+00 2.58 -5.289469281e+00 -5.289469281e+00 2.60 -5.381981769e+00 -5.381981769e+00 2.62 -5.460286821e+00 -5.460286821e+00 2.64 -5.525262415e+00 -5.525262415e+00 2.66 -5.577602378e+00 -5.577602378e+00 2.68 -5.617877997e+00 -5.617877997e+00 2.70 -5.646595180e+00 -5.646595180e+00 2.72 -5.664235484e+00 -5.664235484e+00 2.74 -5.671088444e+00 -5.671088444e+00 2.76 -5.667193503e+00 -5.667193503e+00 2.78 -5.652661230e+00 -5.652661230e+00 2.80 -5.627687917e+00 -5.627687917e+00 2.82 -5.592544531e+00 -5.592544531e+00 2.84 -5.547572751e+00 -5.547572751e+00 2.86 -5.493187912e+00 -5.493187912e+00 2.88 -5.429988429e+00 -5.429988429e+00 2.90 -5.358798072e+00 -5.358798072e+00 2.92 -5.280179357e+00 -5.280179357e+00 2.94 -5.194790345e+00 -5.194790345e+00 2.96 -5.103394178e+00 -5.103394178e+00 2.98 -5.006829429e+00 -5.006829429e+00 3.00 -4.905967668e+00 -4.905967668e+00 3.02 -4.801663328e+00 -4.801663328e+00 3.04 -4.694704059e+00 -4.694704059e+00 3.06 -4.585789333e+00 -4.585789333e+00 3.08 -4.475511295e+00 -4.475511295e+00 3.10 -4.364309502e+00 -4.364309502e+00 3.12 -4.252473913e+00 -4.252473913e+00 3.14 -4.140162831e+00 -4.140162831e+00 3.16 -4.027428197e+00 -4.027428197e+00 3.18 -3.914244223e+00 -3.914244223e+00 3.20 -3.800536327e+00 -3.800536327e+00 3.22 -3.686208512e+00 -3.686208512e+00 3.24 -3.571168274e+00 -3.571168274e+00 3.26 -3.455348709e+00 -3.455348709e+00 3.28 -3.338727663e+00 -3.338727663e+00 3.30 -3.221343774e+00 -3.221343774e+00 3.32 -3.103353087e+00 -3.103353087e+00 3.34 -2.985255056e+00 -2.985255056e+00 3.36 -2.867699040e+00 -2.867699040e+00 3.38 -2.751363394e+00 -2.751363394e+00 3.40 -2.636935152e+00 -2.636935152e+00 3.42 -2.525084386e+00 -2.525084386e+00 3.44 -2.416436113e+00 -2.416436113e+00 3.46 -2.311543207e+00 -2.311543207e+00 3.48 -2.210863609e+00 -2.210863609e+00 3.50 -2.114744430e+00 -2.114744430e+00 3.52 -2.023414434e+00 -2.023414434e+00 3.54 -1.936985078e+00 -1.936985078e+00 3.56 -1.855459115e+00 -1.855459115e+00 3.58 -1.778744917e+00 -1.778744917e+00 3.60 -1.706674261e+00 -1.706674261e+00 3.62 -1.639021370e+00 -1.639021370e+00 3.64 -1.575521339e+00 -1.575521339e+00 3.66 -1.515886624e+00 -1.515886624e+00 3.68 -1.459820817e+00 -1.459820817e+00 3.70 -1.407029442e+00 -1.407029442e+00 3.72 -1.357227846e+00 -1.357227846e+00 3.74 -1.310146520e+00 -1.310146520e+00 3.76 -1.265534276e+00 -1.265534276e+00 3.78 -1.223159754e+00 -1.223159754e+00 3.80 -1.182811691e+00 -1.182811691e+00 3.82 -1.144298348e+00 -1.144298348e+00 3.84 -1.107446389e+00 -1.107446389e+00 3.86 -1.072099491e+00 -1.072099491e+00 3.88 -1.038116848e+00 -1.038116848e+00 3.90 -1.005371730e+00 -1.005371730e+00 3.92 -9.737501827e-01 -9.737501827e-01 3.94 -9.431499457e-01 -9.431499457e-01 3.96 -9.134796156e-01 -9.134796156e-01 3.98 -8.846580893e-01 -8.846580893e-01 4.00 -8.566142662e-01 -8.566142662e-01 4.02 -8.292869874e-01 -8.292869874e-01 4.04 -8.026251552e-01 -8.026251552e-01 4.06 -7.765879495e-01 -7.765879495e-01 4.08 -7.511450295e-01 -7.511450295e-01 4.10 -7.262765809e-01 -7.262765809e-01 4.12 -7.019730875e-01 -7.019730875e-01 4.14 -6.782346178e-01 -6.782346178e-01 4.16 -6.550696148e-01 -6.550696148e-01 4.18 -6.324930697e-01 -6.324930697e-01 4.20 -6.105241551e-01 -6.105241551e-01 4.22 -5.891834540e-01 -5.891834540e-01 4.24 -5.684900151e-01 -5.684900151e-01 4.26 -5.484585184e-01 -5.484585184e-01 4.28 -5.290968659e-01 -5.290968659e-01 4.30 -5.104043931e-01 -5.104043931e-01 4.32 -4.923708703e-01 -4.923708703e-01 4.34 -4.749765294e-01 -4.749765294e-01 4.36 -4.581928815e-01 -4.581928815e-01 4.38 -4.419820273e-01 -4.419820273e-01 4.40 -4.262996977e-01 -4.262996977e-01 4.42 -4.110969392e-01 -4.110969392e-01 4.44 -3.963216628e-01 -3.963216628e-01 4.46 -3.819201431e-01 -3.819201431e-01 4.48 -3.678383906e-01 -3.678383906e-01 4.50 -3.540233678e-01 -3.540233678e-01 4.52 -3.404240852e-01 -3.404240852e-01 4.54 -3.269924956e-01 -3.269924956e-01 4.56 -3.136847817e-01 -3.136847817e-01 4.58 -3.004621222e-01 -3.004621222e-01 4.60 -2.872915939e-01 -2.872915939e-01 4.62 -2.741471928e-01 -2.741471928e-01 4.64 -2.610108515e-01 -2.610108515e-01 4.66 -2.478734122e-01 -2.478734122e-01 4.68 -2.347354906e-01 -2.347354906e-01 4.70 -2.216081382e-01 -2.216081382e-01 4.72 -2.085132022e-01 -2.085132022e-01 4.74 -1.954832760e-01 -1.954832760e-01 4.76 -1.825611483e-01 -1.825611483e-01 4.78 -1.697986891e-01 -1.697986891e-01 4.80 -1.572551553e-01 -1.572551553e-01 4.82 -1.449949586e-01 -1.449949586e-01 4.84 -1.330849936e-01 -1.330849936e-01 4.86 -1.215916974e-01 -1.215916974e-01 4.88 -1.105780421e-01 -1.105780421e-01 4.90 -1.001006910e-01 -1.001006910e-01 4.92 -9.020754295e-02 -9.020754295e-02 4.94 -8.093584933e-02 -8.093584933e-02 4.96 -7.231102883e-02 -7.231102883e-02 4.98 -6.434622975e-02 -6.434622975e-02 5.00 -5.704261020e-02 -5.704261020e-02 5.02 -5.039023976e-02 -5.039023976e-02 5.04 -4.436947718e-02 -4.436947718e-02 5.06 -3.895267491e-02 -3.895267491e-02 5.08 -3.410600252e-02 -3.410600252e-02 5.10 -2.979127691e-02 -2.979127691e-02 5.12 -2.596765711e-02 -2.596765711e-02 5.14 -2.259317640e-02 -2.259317640e-02 5.16 -1.962601000e-02 -1.962601000e-02 5.18 -1.702545863e-02 -1.702545863e-02 5.20 -1.475226450e-02 -1.475226450e-02 5.22 -1.277019621e-02 -1.277019621e-02 5.24 -1.104589559e-02 -1.104589559e-02 5.26 -9.548714207e-03 -9.548714207e-03 5.28 -8.250816986e-03 -8.250816986e-03 5.30 -7.127163986e-03 -7.127163986e-03 5.32 -6.155407476e-03 -6.155407476e-03 5.34 -5.315733862e-03 -5.315733862e-03 5.36 -4.590673172e-03 -4.590673172e-03 5.38 -3.964892997e-03 -3.964892997e-03 5.40 -3.424989014e-03 -3.424989014e-03 5.42 -2.959280460e-03 -2.959280460e-03 5.44 -2.557616001e-03 -2.557616001e-03 5.46 -2.211193268e-03 -2.211193268e-03 5.48 -1.912393736e-03 -1.912393736e-03 5.50 -1.654633520e-03 -1.654633520e-03 5.52 -1.432229854e-03 -1.432229854e-03 5.54 -1.240282576e-03 -1.240282576e-03 5.56 -1.074569593e-03 -1.074569593e-03 5.58 -9.314551740e-04 -9.314551740e-04 5.60 -8.078098432e-04 -8.078098432e-04 5.62 -7.009406533e-04 -7.009406533e-04 5.64 -6.085306812e-04 -6.085306812e-04 5.66 -5.285866474e-04 -5.285866474e-04 5.68 -4.593936623e-04 -4.593936623e-04 5.70 -3.994761913e-04 -3.994761913e-04 5.72 -3.475644308e-04 -3.475644308e-04 5.74 -3.025653740e-04 -3.025653740e-04 5.76 -2.635379330e-04 -2.635379330e-04 5.78 -2.296715637e-04 -2.296715637e-04 5.80 -2.002679072e-04 -2.002679072e-04 5.82 -1.747250279e-04 -1.747250279e-04 5.84 -1.525238844e-04 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