# 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 = AuFe2Mo # 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 2.650277195e+02 2.650277195e+02 1.30 2.434239720e+02 2.434239720e+02 1.32 2.235348494e+02 2.235348494e+02 1.34 2.052232459e+02 2.052232459e+02 1.36 1.883646452e+02 1.883646452e+02 1.38 1.728433415e+02 1.728433415e+02 1.40 1.585504833e+02 1.585504833e+02 1.42 1.453840900e+02 1.453840900e+02 1.44 1.332500464e+02 1.332500464e+02 1.46 1.220629115e+02 1.220629115e+02 1.48 1.117459809e+02 1.117459809e+02 1.50 1.022305864e+02 1.022305864e+02 1.52 9.345483097e+01 9.345483097e+01 1.54 8.536209401e+01 8.536209401e+01 1.56 7.789974759e+01 7.789974759e+01 1.58 7.101839305e+01 7.101839305e+01 1.60 6.467163415e+01 6.467163415e+01 1.62 5.881619129e+01 5.881619129e+01 1.64 5.341213963e+01 5.341213963e+01 1.66 4.842313553e+01 4.842313553e+01 1.68 4.381654069e+01 4.381654069e+01 1.70 3.956333571e+01 3.956333571e+01 1.72 3.564546714e+01 3.564546714e+01 1.74 3.205266161e+01 3.205266161e+01 1.76 2.876081972e+01 2.876081972e+01 1.78 2.574636167e+01 2.574636167e+01 1.80 2.298649262e+01 2.298649262e+01 1.82 2.045949876e+01 2.045949876e+01 1.84 1.814520381e+01 1.814520381e+01 1.86 1.602533677e+01 1.602533677e+01 1.88 1.408364601e+01 1.408364601e+01 1.90 1.230573917e+01 1.230573917e+01 1.92 1.067874538e+01 1.067874538e+01 1.94 9.190936942e+00 9.190936942e+00 1.96 7.831420178e+00 7.831420178e+00 1.98 6.589946187e+00 6.589946187e+00 2.00 5.456837329e+00 5.456837329e+00 2.02 4.422992349e+00 4.422992349e+00 2.04 3.479923316e+00 3.479923316e+00 2.06 2.619785849e+00 2.619785849e+00 2.08 1.835383563e+00 1.835383563e+00 2.10 1.120147972e+00 1.120147972e+00 2.12 4.681061658e-01 4.681061658e-01 2.14 -1.261524132e-01 -1.261524132e-01 2.16 -6.675065280e-01 -6.675065280e-01 2.18 -1.160334483e+00 -1.160334483e+00 2.20 -1.608551444e+00 -1.608551444e+00 2.22 -2.015654982e+00 -2.015654982e+00 2.24 -2.384776800e+00 -2.384776800e+00 2.26 -2.718735909e+00 -2.718735909e+00 2.28 -3.020088285e+00 -3.020088285e+00 2.30 -3.291169447e+00 -3.291169447e+00 2.32 -3.534128547e+00 -3.534128547e+00 2.34 -3.750954399e+00 -3.750954399e+00 2.36 -3.943389784e+00 -3.943389784e+00 2.38 -4.113127658e+00 -4.113127658e+00 2.40 -4.261986277e+00 -4.261986277e+00 2.42 -4.391635467e+00 -4.391635467e+00 2.44 -4.503615362e+00 -4.503615362e+00 2.46 -4.599354640e+00 -4.599354640e+00 2.48 -4.680184667e+00 -4.680184667e+00 2.50 -4.747282699e+00 -4.747282699e+00 2.52 -4.801506026e+00 -4.801506026e+00 2.54 -4.843655691e+00 -4.843655691e+00 2.56 -4.874540318e+00 -4.874540318e+00 2.58 -4.894960284e+00 -4.894960284e+00 2.60 -4.905692133e+00 -4.905692133e+00 2.62 -4.907486027e+00 -4.907486027e+00 2.64 -4.901115020e+00 -4.901115020e+00 2.66 -4.887111610e+00 -4.887111610e+00 2.68 -4.865920968e+00 -4.865920968e+00 2.70 -4.837946606e+00 -4.837946606e+00 2.72 -4.803551927e+00 -4.803551927e+00 2.74 -4.763049378e+00 -4.763049378e+00 2.76 -4.716725528e+00 -4.716725528e+00 2.78 -4.664838395e+00 -4.664838395e+00 2.80 -4.607634010e+00 -4.607634010e+00 2.82 -4.545359786e+00 -4.545359786e+00 2.84 -4.478269540e+00 -4.478269540e+00 2.86 -4.406514145e+00 -4.406514145e+00 2.88 -4.330029052e+00 -4.330029052e+00 2.90 -4.248822108e+00 -4.248822108e+00 2.92 -4.163011330e+00 -4.163011330e+00 2.94 -4.072813832e+00 -4.072813832e+00 2.96 -3.978531583e+00 -3.978531583e+00 2.98 -3.880534150e+00 -3.880534150e+00 3.00 -3.779238961e+00 -3.779238961e+00 3.02 -3.675090071e+00 -3.675090071e+00 3.04 -3.568536745e+00 -3.568536745e+00 3.06 -3.460013610e+00 -3.460013610e+00 3.08 -3.349924268e+00 -3.349924268e+00 3.10 -3.238630337e+00 -3.238630337e+00 3.12 -3.126447314e+00 -3.126447314e+00 3.14 -3.013647769e+00 -3.013647769e+00 3.16 -2.900471122e+00 -2.900471122e+00 3.18 -2.787138043e+00 -2.787138043e+00 3.20 -2.673866718e+00 -2.673866718e+00 3.22 -2.560888030e+00 -2.560888030e+00 3.24 -2.448457147e+00 -2.448457147e+00 3.26 -2.336859875e+00 -2.336859875e+00 3.28 -2.226413249e+00 -2.226413249e+00 3.30 -2.117460839e+00 -2.117460839e+00 3.32 -2.010364083e+00 -2.010364083e+00 3.34 -1.905491366e+00 -1.905491366e+00 3.36 -1.803206564e+00 -1.803206564e+00 3.38 -1.703858407e+00 -1.703858407e+00 3.40 -1.607771432e+00 -1.607771432e+00 3.42 -1.515238697e+00 -1.515238697e+00 3.44 -1.426515998e+00 -1.426515998e+00 3.46 -1.341817163e+00 -1.341817163e+00 3.48 -1.261310123e+00 -1.261310123e+00 3.50 -1.185113673e+00 -1.185113673e+00 3.52 -1.113295160e+00 -1.113295160e+00 3.54 -1.045869489e+00 -1.045869489e+00 3.56 -9.827998339e-01 -9.827998339e-01 3.58 -9.240002976e-01 -9.240002976e-01 3.60 -8.693405189e-01 -8.693405189e-01 3.62 -8.186519382e-01 -8.186519382e-01 3.64 -7.717352460e-01 -7.717352460e-01 3.66 -7.283684213e-01 -7.283684213e-01 3.68 -6.883147656e-01 -6.883147656e-01 3.70 -6.513304185e-01 -6.513304185e-01 3.72 -6.171709844e-01 -6.171709844e-01 3.74 -5.855969885e-01 -5.855969885e-01 3.76 -5.563780023e-01 -5.563780023e-01 3.78 -5.292964813e-01 -5.292964813e-01 3.80 -5.041492399e-01 -5.041492399e-01 3.82 -4.807485423e-01 -4.807485423e-01 3.84 -4.589225439e-01 -4.589225439e-01 3.86 -4.385151305e-01 -4.385151305e-01 3.88 -4.193853248e-01 -4.193853248e-01 3.90 -4.014064047e-01 -4.014064047e-01 3.92 -3.844648493e-01 -3.844648493e-01 3.94 -3.684592066e-01 -3.684592066e-01 3.96 -3.532989465e-01 -3.532989465e-01 3.98 -3.389033582e-01 -3.389033582e-01 4.00 -3.252005223e-01 -3.252005223e-01 4.02 -3.121263839e-01 -3.121263839e-01 4.04 -2.996239437e-01 -2.996239437e-01 4.06 -2.876425729e-01 -2.876425729e-01 4.08 -2.761374567e-01 -2.761374567e-01 4.10 -2.650691597e-01 -2.650691597e-01 4.12 -2.544033102e-01 -2.544033102e-01 4.14 -2.441103693e-01 -2.441103693e-01 4.16 -2.341654821e-01 -2.341654821e-01 4.18 -2.245483595e-01 -2.245483595e-01 4.20 -2.152431549e-01 -2.152431549e-01 4.22 -2.062382878e-01 -2.062382878e-01 4.24 -1.975261664e-01 -1.975261664e-01 4.26 -1.891027682e-01 -1.891027682e-01 4.28 -1.809670536e-01 -1.809670536e-01 4.30 -1.731202108e-01 -1.731202108e-01 4.32 -1.655647662e-01 -1.655647662e-01 4.34 -1.583036089e-01 -1.583036089e-01 4.36 -1.513390158e-01 -1.513390158e-01 4.38 -1.446717694e-01 -1.446717694e-01 4.40 -1.383004433e-01 -1.383004433e-01 4.42 -1.322209385e-01 -1.322209385e-01 4.44 -1.264262768e-01 -1.264262768e-01 4.46 -1.209066481e-01 -1.209066481e-01 4.48 -1.156494727e-01 -1.156494727e-01 4.50 -1.106402211e-01 -1.106402211e-01 4.52 -1.058629233e-01 -1.058629233e-01 4.54 -1.013004252e-01 -1.013004252e-01 4.56 -9.693494268e-02 -9.693494268e-02 4.58 -9.274855314e-02 -9.274855314e-02 4.60 -8.872360608e-02 -8.872360608e-02 4.62 -8.484305192e-02 -8.484305192e-02 4.64 -8.109069703e-02 -8.109069703e-02 4.66 -7.745139918e-02 -7.745139918e-02 4.68 -7.391122027e-02 -7.391122027e-02 4.70 -7.045755259e-02 -7.045755259e-02 4.72 -6.707923245e-02 -6.707923245e-02 4.74 -6.376665142e-02 -6.376665142e-02 4.76 -6.051187068e-02 -6.051187068e-02 4.78 -5.730873888e-02 -5.730873888e-02 4.80 -5.415300820e-02 -5.415300820e-02 4.82 -5.104244129e-02 -5.104244129e-02 4.84 -4.797688683e-02 -4.797688683e-02 4.86 -4.495831596e-02 -4.495831596e-02 4.88 -4.199079182e-02 -4.199079182e-02 4.90 -3.908035689e-02 -3.908035689e-02 4.92 -3.623482356e-02 -3.623482356e-02 4.94 -3.346346113e-02 -3.346346113e-02 4.96 -3.077658451e-02 -3.077658451e-02 4.98 -2.818505644e-02 -2.818505644e-02 5.00 -2.569973746e-02 -2.569973746e-02 5.02 -2.333091976e-02 -2.333091976e-02 5.04 -2.108778647e-02 -2.108778647e-02 5.06 -1.897794060e-02 -1.897794060e-02 5.08 -1.700703989e-02 -1.700703989e-02 5.10 -1.517820601e-02 -1.517820601e-02 5.12 -1.349247345e-02 -1.349247345e-02 5.14 -1.194915695e-02 -1.194915695e-02 5.16 -1.054539337e-02 -1.054539337e-02 5.18 -9.276421812e-03 -9.276421812e-03 5.20 -8.135925496e-03 -8.135925496e-03 5.22 -7.116400575e-03 -7.116400575e-03 5.24 -6.209522545e-03 -6.209522545e-03 5.26 -5.406487481e-03 -5.406487481e-03 5.28 -4.698312478e-03 -4.698312478e-03 5.30 -4.076086572e-03 -4.076086572e-03 5.32 -3.531169343e-03 -3.531169343e-03 5.34 -3.055338848e-03 -3.055338848e-03 5.36 -2.640893566e-03 -2.640893566e-03 5.38 -2.280714775e-03 -2.280714775e-03 5.40 -1.968296434e-03 -1.968296434e-03 5.42 -1.697749586e-03 -1.697749586e-03 5.44 -1.463787699e-03 -1.463787699e-03 5.46 -1.261698546e-03 -1.261698546e-03 5.48 -1.087307261e-03 -1.087307261e-03 5.50 -9.369342849e-04 -9.369342849e-04 5.52 -8.073510357e-04 -8.073510357e-04 5.54 -6.957354255e-04 -6.957354255e-04 5.56 -5.996286902e-04 -5.996286902e-04 5.58 -5.168945291e-04 -5.168945291e-04 5.60 -4.456811518e-04 -4.456811518e-04 5.62 -3.843865460e-04 -3.843865460e-04 5.64 -3.316270676e-04 -3.316270676e-04 5.66 -2.862093054e-04 -2.862093054e-04 5.68 -2.471050796e-04 -2.471050796e-04 5.70 -2.134293659e-04 -2.134293659e-04 5.72 -1.844209117e-04 -1.844209117e-04 5.74 -1.594252893e-04 -1.594252893e-04 5.76 -1.378801375e-04 -1.378801375e-04 5.78 -1.193023484e-04 -1.193023484e-04 5.80 -1.032769726e-04 -1.032769726e-04 5.82 -8.944763327e-05 -8.944763327e-05 5.84 -7.750825886e-05 -7.750825886e-05 5.86 -6.719596343e-05 -6.719596343e-05 5.88 -5.828492341e-05 -5.828492341e-05 5.90 -5.058111598e-05 -5.058111598e-05 5.92 -4.391780166e-05 -4.391780166e-05 5.94 -3.815164817e-05 -3.815164817e-05 5.96 -3.315940600e-05 -3.315940600e-05 5.98 -2.883505828e-05 -2.883505828e-05 6.00 -2.508737757e-05 -2.508737757e-05