# 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 = AlFe2Pb # 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 2.182476213e+02 2.182476213e+02 1.30 2.018631936e+02 2.018631936e+02 1.32 1.867183281e+02 1.867183281e+02 1.34 1.727141459e+02 1.727141459e+02 1.36 1.597597174e+02 1.597597174e+02 1.38 1.477707967e+02 1.477707967e+02 1.40 1.366698942e+02 1.366698942e+02 1.42 1.263866578e+02 1.263866578e+02 1.44 1.168576386e+02 1.168576386e+02 1.46 1.080252736e+02 1.080252736e+02 1.48 9.983672910e+01 9.983672910e+01 1.50 9.224330151e+01 9.224330151e+01 1.52 8.520025107e+01 8.520025107e+01 1.54 7.866643594e+01 7.866643594e+01 1.56 7.260360346e+01 7.260360346e+01 1.58 6.697579356e+01 6.697579356e+01 1.60 6.174913154e+01 6.174913154e+01 1.62 5.689193854e+01 5.689193854e+01 1.64 5.237487130e+01 5.237487130e+01 1.66 4.817371315e+01 4.817371315e+01 1.68 4.427236092e+01 4.427236092e+01 1.70 4.065243184e+01 4.065243184e+01 1.72 3.729563101e+01 3.729563101e+01 1.74 3.418511140e+01 3.418511140e+01 1.76 3.130496070e+01 3.130496070e+01 1.78 2.863960275e+01 2.863960275e+01 1.80 2.617365103e+01 2.617365103e+01 1.82 2.389214790e+01 2.389214790e+01 1.84 2.178093222e+01 2.178093222e+01 1.86 1.982692732e+01 1.982692732e+01 1.88 1.801826106e+01 1.801826106e+01 1.90 1.634421102e+01 1.634421102e+01 1.92 1.479502008e+01 1.479502008e+01 1.94 1.336164406e+01 1.336164406e+01 1.96 1.203548260e+01 1.203548260e+01 1.98 1.080820005e+01 1.080820005e+01 2.00 9.671702461e+00 9.671702461e+00 2.02 8.618274789e+00 8.618274789e+00 2.04 7.640792585e+00 7.640792585e+00 2.06 6.732896967e+00 6.732896967e+00 2.08 5.889060935e+00 5.889060935e+00 2.10 5.104540661e+00 5.104540661e+00 2.12 4.375252059e+00 4.375252059e+00 2.14 3.697615792e+00 3.697615792e+00 2.16 3.068415470e+00 3.068415470e+00 2.18 2.484689432e+00 2.484689432e+00 2.20 1.943660529e+00 1.943660529e+00 2.22 1.442701065e+00 1.442701065e+00 2.24 9.793193362e-01 9.793193362e-01 2.26 5.511579647e-01 5.511579647e-01 2.28 1.559942295e-01 1.559942295e-01 2.30 -2.082561828e-01 -2.082561828e-01 2.32 -5.435450084e-01 -5.435450084e-01 2.34 -8.516890913e-01 -8.516890913e-01 2.36 -1.134379868e+00 -1.134379868e+00 2.38 -1.393189523e+00 -1.393189523e+00 2.40 -1.629579618e+00 -1.629579618e+00 2.42 -1.844911069e+00 -1.844911069e+00 2.44 -2.040455885e+00 -2.040455885e+00 2.46 -2.217411117e+00 -2.217411117e+00 2.48 -2.376915399e+00 -2.376915399e+00 2.50 -2.520067528e+00 -2.520067528e+00 2.52 -2.647945305e+00 -2.647945305e+00 2.54 -2.761621651e+00 -2.761621651e+00 2.56 -2.862174207e+00 -2.862174207e+00 2.58 -2.950684769e+00 -2.950684769e+00 2.60 -3.028232278e+00 -3.028232278e+00 2.62 -3.096480775e+00 -3.096480775e+00 2.64 -3.156543719e+00 -3.156543719e+00 2.66 -3.208956968e+00 -3.208956968e+00 2.68 -3.254209731e+00 -3.254209731e+00 2.70 -3.292726635e+00 -3.292726635e+00 2.72 -3.324867189e+00 -3.324867189e+00 2.74 -3.350937035e+00 -3.350937035e+00 2.76 -3.371202636e+00 -3.371202636e+00 2.78 -3.385791993e+00 -3.385791993e+00 2.80 -3.394682878e+00 -3.394682878e+00 2.82 -3.397900158e+00 -3.397900158e+00 2.84 -3.395528400e+00 -3.395528400e+00 2.86 -3.387704137e+00 -3.387704137e+00 2.88 -3.374607014e+00 -3.374607014e+00 2.90 -3.356450267e+00 -3.356450267e+00 2.92 -3.333471698e+00 -3.333471698e+00 2.94 -3.305926396e+00 -3.305926396e+00 2.96 -3.274082172e+00 -3.274082172e+00 2.98 -3.238217971e+00 -3.238217971e+00 3.00 -3.198624569e+00 -3.198624569e+00 3.02 -3.155634227e+00 -3.155634227e+00 3.04 -3.109570576e+00 -3.109570576e+00 3.06 -3.060709654e+00 -3.060709654e+00 3.08 -3.009338433e+00 -3.009338433e+00 3.10 -2.955748334e+00 -2.955748334e+00 3.12 -2.900223782e+00 -2.900223782e+00 3.14 -2.843037741e+00 -2.843037741e+00 3.16 -2.784434664e+00 -2.784434664e+00 3.18 -2.724627167e+00 -2.724627167e+00 3.20 -2.663822581e+00 -2.663822581e+00 3.22 -2.602233232e+00 -2.602233232e+00 3.24 -2.540083241e+00 -2.540083241e+00 3.26 -2.477612528e+00 -2.477612528e+00 3.28 -2.415076918e+00 -2.415076918e+00 3.30 -2.352744071e+00 -2.352744071e+00 3.32 -2.290885795e+00 -2.290885795e+00 3.34 -2.229767835e+00 -2.229767835e+00 3.36 -2.169638672e+00 -2.169638672e+00 3.38 -2.110718955e+00 -2.110718955e+00 3.40 -2.053192779e+00 -2.053192779e+00 3.42 -1.997203173e+00 -1.997203173e+00 3.44 -1.942848612e+00 -1.942848612e+00 3.46 -1.890185331e+00 -1.890185331e+00 3.48 -1.839230988e+00 -1.839230988e+00 3.50 -1.789970411e+00 -1.789970411e+00 3.52 -1.742362301e+00 -1.742362301e+00 3.54 -1.696346106e+00 -1.696346106e+00 3.56 -1.651848496e+00 -1.651848496e+00 3.58 -1.608789086e+00 -1.608789086e+00 3.60 -1.567085213e+00 -1.567085213e+00 3.62 -1.526655722e+00 -1.526655722e+00 3.64 -1.487423786e+00 -1.487423786e+00 3.66 -1.449318828e+00 -1.449318828e+00 3.68 -1.412277615e+00 -1.412277615e+00 3.70 -1.376244598e+00 -1.376244598e+00 3.72 -1.341171599e+00 -1.341171599e+00 3.74 -1.307016949e+00 -1.307016949e+00 3.76 -1.273744236e+00 -1.273744236e+00 3.78 -1.241320853e+00 -1.241320853e+00 3.80 -1.209716535e+00 -1.209716535e+00 3.82 -1.178902072e+00 -1.178902072e+00 3.84 -1.148848336e+00 -1.148848336e+00 3.86 -1.119525659e+00 -1.119525659e+00 3.88 -1.090903562e+00 -1.090903562e+00 3.90 -1.062950766e+00 -1.062950766e+00 3.92 -1.035634964e+00 -1.035634964e+00 3.94 -1.008924828e+00 -1.008924828e+00 3.96 -9.827875914e-01 -9.827875914e-01 3.98 -9.571912374e-01 -9.571912374e-01 4.00 -9.321042441e-01 -9.321042441e-01 4.02 -9.074958200e-01 -9.074958200e-01 4.04 -8.833361562e-01 -8.833361562e-01 4.06 -8.595967325e-01 -8.595967325e-01 4.08 -8.362507116e-01 -8.362507116e-01 4.10 -8.132722531e-01 -8.132722531e-01 4.12 -7.906421661e-01 -7.906421661e-01 4.14 -7.683408004e-01 -7.683408004e-01 4.16 -7.463544415e-01 -7.463544415e-01 4.18 -7.246747476e-01 -7.246747476e-01 4.20 -7.032995932e-01 -7.032995932e-01 4.22 -6.822337351e-01 -6.822337351e-01 4.24 -6.614891632e-01 -6.614891632e-01 4.26 -6.410850000e-01 -6.410850000e-01 4.28 -6.210468424e-01 -6.210468424e-01 4.30 -6.014054961e-01 -6.014054961e-01 4.32 -5.821951359e-01 -5.821951359e-01 4.34 -5.634510171e-01 -5.634510171e-01 4.36 -5.452069494e-01 -5.452069494e-01 4.38 -5.274927962e-01 -5.274927962e-01 4.40 -5.103322701e-01 -5.103322701e-01 4.42 -4.937412528e-01 -4.937412528e-01 4.44 -4.777267835e-01 -4.777267835e-01 4.46 -4.622867583e-01 -4.622867583e-01 4.48 -4.474102854e-01 -4.474102854e-01 4.50 -4.330785547e-01 -4.330785547e-01 4.52 -4.192660780e-01 -4.192660780e-01 4.54 -4.059421045e-01 -4.059421045e-01 4.56 -3.930720511e-01 -3.930720511e-01 4.58 -3.806188528e-01 -3.806188528e-01 4.60 -3.685441596e-01 -3.685441596e-01 4.62 -3.568089096e-01 -3.568089096e-01 4.64 -3.453747555e-01 -3.453747555e-01 4.66 -3.342055042e-01 -3.342055042e-01 4.68 -3.232664131e-01 -3.232664131e-01 4.70 -3.125248007e-01 -3.125248007e-01 4.72 -3.019505837e-01 -3.019505837e-01 4.74 -2.915167656e-01 -2.915167656e-01 4.76 -2.811999146e-01 -2.811999146e-01 4.78 -2.709806478e-01 -2.709806478e-01 4.80 -2.608433223e-01 -2.608433223e-01 4.82 -2.507798522e-01 -2.507798522e-01 4.84 -2.407849260e-01 -2.407849260e-01 4.86 -2.308599842e-01 -2.308599842e-01 4.88 -2.210124490e-01 -2.210124490e-01 4.90 -2.112556932e-01 -2.112556932e-01 4.92 -2.016087393e-01 -2.016087393e-01 4.94 -1.920956538e-01 -1.920956538e-01 4.96 -1.827446271e-01 -1.827446271e-01 4.98 -1.735867668e-01 -1.735867668e-01 5.00 -1.646546675e-01 -1.646546675e-01 5.02 -1.559808553e-01 -1.559808553e-01 5.04 -1.475962253e-01 -1.475962253e-01 5.06 -1.395285989e-01 -1.395285989e-01 5.08 -1.318015144e-01 -1.318015144e-01 5.10 -1.244333412e-01 -1.244333412e-01 5.12 -1.174367641e-01 -1.174367641e-01 5.14 -1.108186450e-01 -1.108186450e-01 5.16 -1.045802289e-01 -1.045802289e-01 5.18 -9.871763023e-02 -9.871763023e-02 5.20 -9.322251980e-02 -9.322251980e-02 5.22 -8.808292502e-02 -8.808292502e-02 5.24 -8.328406407e-02 -8.328406407e-02 5.26 -7.880913043e-02 -7.880913043e-02 5.28 -7.463994906e-02 -7.463994906e-02 5.30 -7.075780352e-02 -7.075780352e-02 5.32 -6.714382154e-02 -6.714382154e-02 5.34 -6.377932720e-02 -6.377932720e-02 5.36 -6.064611500e-02 -6.064611500e-02 5.38 -5.772663697e-02 -5.772663697e-02 5.40 -5.500412168e-02 -5.500412168e-02 5.42 -5.246264313e-02 -5.246264313e-02 5.44 -5.008715464e-02 -5.008715464e-02 5.46 -4.786349952e-02 -4.786349952e-02 5.48 -4.577840677e-02 -4.577840677e-02 5.50 -4.381947728e-02 -4.381947728e-02 5.52 -4.197516369e-02 -4.197516369e-02 5.54 -4.023474545e-02 -4.023474545e-02 5.56 -3.858830018e-02 -3.858830018e-02 5.58 -3.702667172e-02 -3.702667172e-02 5.60 -3.554143547e-02 -3.554143547e-02 5.62 -3.412486182e-02 -3.412486182e-02 5.64 -3.276987862e-02 -3.276987862e-02 5.66 -3.147003275e-02 -3.147003275e-02 5.68 -3.021945345e-02 -3.021945345e-02 5.70 -2.901281758e-02 -2.901281758e-02 5.72 -2.784531782e-02 -2.784531782e-02 5.74 -2.671263460e-02 -2.671263460e-02 5.76 -2.561091249e-02 -2.561091249e-02 5.78 -2.453674135e-02 -2.453674135e-02 5.80 -2.348714222e-02 -2.348714222e-02 5.82 -2.245955776e-02 -2.245955776e-02 5.84 -2.145184667e-02 -2.145184667e-02 5.86 -2.046228114e-02 -2.046228114e-02 5.88 -1.948954607e-02 -1.948954607e-02 5.90 -1.853273859e-02 -1.853273859e-02 5.92 -1.759136592e-02 -1.759136592e-02 5.94 -1.666532954e-02 -1.666532954e-02 5.96 -1.575479107e-02 -1.575479107e-02 5.98 -1.486041784e-02 -1.486041784e-02 6.00 -1.398327784e-02 -1.398327784e-02