# 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 = AgAuMg2 # 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 3.548398860e+02 3.548398860e+02 1.30 3.285877370e+02 3.285877370e+02 1.32 3.043141760e+02 3.043141760e+02 1.34 2.818592070e+02 2.818592070e+02 1.36 2.610771922e+02 2.610771922e+02 1.38 2.418358910e+02 2.418358910e+02 1.40 2.240149167e+02 2.240149167e+02 1.42 2.075039403e+02 2.075039403e+02 1.44 1.922012216e+02 1.922012216e+02 1.46 1.780126658e+02 1.780126658e+02 1.48 1.648514365e+02 1.648514365e+02 1.50 1.526380149e+02 1.526380149e+02 1.52 1.413002182e+02 1.413002182e+02 1.54 1.307726585e+02 1.307726585e+02 1.56 1.209957347e+02 1.209957347e+02 1.58 1.119145948e+02 1.119145948e+02 1.60 1.034783905e+02 1.034783905e+02 1.62 9.564816269e+01 9.564816269e+01 1.64 8.838635637e+01 8.838635637e+01 1.66 8.165138986e+01 8.165138986e+01 1.68 7.540332547e+01 7.540332547e+01 1.70 6.960561612e+01 6.960561612e+01 1.72 6.422489086e+01 6.422489086e+01 1.74 5.923077387e+01 5.923077387e+01 1.76 5.459555254e+01 5.459555254e+01 1.78 5.029378140e+01 5.029378140e+01 1.80 4.630193148e+01 4.630193148e+01 1.82 4.259814203e+01 4.259814203e+01 1.84 3.916207549e+01 3.916207549e+01 1.86 3.597483865e+01 3.597483865e+01 1.88 3.301890304e+01 3.301890304e+01 1.90 3.027799660e+01 3.027799660e+01 1.92 2.773696926e+01 2.773696926e+01 1.94 2.538165261e+01 2.538165261e+01 1.96 2.319875140e+01 2.319875140e+01 1.98 2.117578545e+01 2.117578545e+01 2.00 1.930108669e+01 1.930108669e+01 2.02 1.756382693e+01 1.756382693e+01 2.04 1.595403828e+01 1.595403828e+01 2.06 1.446259145e+01 1.446259145e+01 2.08 1.308112426e+01 1.308112426e+01 2.10 1.180194464e+01 1.180194464e+01 2.12 1.061793313e+01 1.061793313e+01 2.14 9.522466401e+00 9.522466401e+00 2.16 8.509364644e+00 8.509364644e+00 2.18 7.572855917e+00 7.572855917e+00 2.20 6.707553785e+00 6.707553785e+00 2.22 5.908438585e+00 5.908438585e+00 2.24 5.170843488e+00 5.170843488e+00 2.26 4.490441969e+00 4.490441969e+00 2.28 3.863232129e+00 3.863232129e+00 2.30 3.285521018e+00 3.285521018e+00 2.32 2.753898219e+00 2.753898219e+00 2.34 2.265209780e+00 2.265209780e+00 2.36 1.816528132e+00 1.816528132e+00 2.38 1.405124792e+00 1.405124792e+00 2.40 1.028446061e+00 1.028446061e+00 2.42 6.840917254e-01 6.840917254e-01 2.44 3.697990295e-01 3.697990295e-01 2.46 8.342867463e-02 8.342867463e-02 2.48 -1.770451931e-01 -1.770451931e-01 2.50 -4.135429991e-01 -4.135429991e-01 2.52 -6.278865324e-01 -6.278865324e-01 2.54 -8.218333767e-01 -8.218333767e-01 2.56 -9.970799340e-01 -9.970799340e-01 2.58 -1.155097062e+00 -1.155097062e+00 2.60 -1.297279259e+00 -1.297279259e+00 2.62 -1.424944257e+00 -1.424944257e+00 2.64 -1.539317984e+00 -1.539317984e+00 2.66 -1.641518020e+00 -1.641518020e+00 2.68 -1.732546032e+00 -1.732546032e+00 2.70 -1.813286877e+00 -1.813286877e+00 2.72 -1.884513409e+00 -1.884513409e+00 2.74 -1.946939871e+00 -1.946939871e+00 2.76 -2.001259185e+00 -2.001259185e+00 2.78 -2.047933960e+00 -2.047933960e+00 2.80 -2.087391902e+00 -2.087391902e+00 2.82 -2.120048215e+00 -2.120048215e+00 2.84 -2.146308240e+00 -2.146308240e+00 2.86 -2.166567385e+00 -2.166567385e+00 2.88 -2.181210970e+00 -2.181210970e+00 2.90 -2.190615174e+00 -2.190615174e+00 2.92 -2.195153746e+00 -2.195153746e+00 2.94 -2.195194646e+00 -2.195194646e+00 2.96 -2.191098332e+00 -2.191098332e+00 2.98 -2.183220634e+00 -2.183220634e+00 3.00 -2.171915188e+00 -2.171915188e+00 3.02 -2.157534548e+00 -2.157534548e+00 3.04 -2.140428834e+00 -2.140428834e+00 3.06 -2.120943033e+00 -2.120943033e+00 3.08 -2.099408967e+00 -2.099408967e+00 3.10 -2.076138802e+00 -2.076138802e+00 3.12 -2.051416725e+00 -2.051416725e+00 3.14 -2.025494753e+00 -2.025494753e+00 3.16 -1.998587542e+00 -1.998587542e+00 3.18 -1.970883901e+00 -1.970883901e+00 3.20 -1.942561676e+00 -1.942561676e+00 3.22 -1.913712909e+00 -1.913712909e+00 3.24 -1.884410313e+00 -1.884410313e+00 3.26 -1.854720006e+00 -1.854720006e+00 3.28 -1.824705180e+00 -1.824705180e+00 3.30 -1.794428260e+00 -1.794428260e+00 3.32 -1.763951537e+00 -1.763951537e+00 3.34 -1.733336323e+00 -1.733336323e+00 3.36 -1.702623493e+00 -1.702623493e+00 3.38 -1.671810487e+00 -1.671810487e+00 3.40 -1.640897333e+00 -1.640897333e+00 3.42 -1.609891979e+00 -1.609891979e+00 3.44 -1.578808244e+00 -1.578808244e+00 3.46 -1.547665096e+00 -1.547665096e+00 3.48 -1.516485734e+00 -1.516485734e+00 3.50 -1.485296823e+00 -1.485296823e+00 3.52 -1.454127681e+00 -1.454127681e+00 3.54 -1.423009424e+00 -1.423009424e+00 3.56 -1.391974112e+00 -1.391974112e+00 3.58 -1.361053924e+00 -1.361053924e+00 3.60 -1.330280437e+00 -1.330280437e+00 3.62 -1.299684013e+00 -1.299684013e+00 3.64 -1.269293326e+00 -1.269293326e+00 3.66 -1.239135039e+00 -1.239135039e+00 3.68 -1.209233619e+00 -1.209233619e+00 3.70 -1.179611299e+00 -1.179611299e+00 3.72 -1.150288164e+00 -1.150288164e+00 3.74 -1.121282368e+00 -1.121282368e+00 3.76 -1.092610422e+00 -1.092610422e+00 3.78 -1.064287548e+00 -1.064287548e+00 3.80 -1.036328025e+00 -1.036328025e+00 3.82 -1.008745473e+00 -1.008745473e+00 3.84 -9.815530169e-01 -9.815530169e-01 3.86 -9.547632705e-01 -9.547632705e-01 3.88 -9.283881492e-01 -9.283881492e-01 3.90 -9.024385162e-01 -9.024385162e-01 3.92 -8.769235677e-01 -8.769235677e-01 3.94 -8.518511427e-01 -8.518511427e-01 3.96 -8.272262140e-01 -8.272262140e-01 3.98 -8.030515518e-01 -8.030515518e-01 4.00 -7.793275328e-01 -7.793275328e-01 4.02 -7.560523574e-01 -7.560523574e-01 4.04 -7.332224178e-01 -7.332224178e-01 4.06 -7.108327702e-01 -7.108327702e-01 4.08 -6.888776706e-01 -6.888776706e-01 4.10 -6.673505736e-01 -6.673505736e-01 4.12 -6.462470999e-01 -6.462470999e-01 4.14 -6.255618291e-01 -6.255618291e-01 4.16 -6.052915205e-01 -6.052915205e-01 4.18 -5.854349006e-01 -5.854349006e-01 4.20 -5.659930776e-01 -5.659930776e-01 4.22 -5.469698246e-01 -5.469698246e-01 4.24 -5.283716771e-01 -5.283716771e-01 4.26 -5.102077963e-01 -5.102077963e-01 4.28 -4.924895617e-01 -4.924895617e-01 4.30 -4.752298864e-01 -4.752298864e-01 4.32 -4.584422826e-01 -4.584422826e-01 4.34 -4.421397466e-01 -4.421397466e-01 4.36 -4.263335684e-01 -4.263335684e-01 4.38 -4.110321888e-01 -4.110321888e-01 4.40 -3.962402314e-01 -3.962402314e-01 4.42 -3.819578094e-01 -3.819578094e-01 4.44 -3.681801682e-01 -3.681801682e-01 4.46 -3.548976786e-01 -3.548976786e-01 4.48 -3.420961441e-01 -3.420961441e-01 4.50 -3.297573574e-01 -3.297573574e-01 4.52 -3.178598162e-01 -3.178598162e-01 4.54 -3.063795159e-01 -3.063795159e-01 4.56 -2.952907406e-01 -2.952907406e-01 4.58 -2.845668003e-01 -2.845668003e-01 4.60 -2.741806819e-01 -2.741806819e-01 4.62 -2.641056008e-01 -2.641056008e-01 4.64 -2.543154598e-01 -2.543154598e-01 4.66 -2.447852289e-01 -2.447852289e-01 4.68 -2.354912668e-01 -2.354912668e-01 4.70 -2.264116064e-01 -2.264116064e-01 4.72 -2.175262242e-01 -2.175262242e-01 4.74 -2.088173074e-01 -2.088173074e-01 4.76 -2.002695287e-01 -2.002695287e-01 4.78 -1.918703293e-01 -1.918703293e-01 4.80 -1.836098205e-01 -1.836098205e-01 4.82 -1.754826531e-01 -1.754826531e-01 4.84 -1.674857386e-01 -1.674857386e-01 4.86 -1.596201712e-01 -1.596201712e-01 4.88 -1.518908228e-01 -1.518908228e-01 4.90 -1.443062633e-01 -1.443062633e-01 4.92 -1.368785095e-01 -1.368785095e-01 4.94 -1.296225833e-01 -1.296225833e-01 4.96 -1.225558749e-01 -1.225558749e-01 4.98 -1.156973280e-01 -1.156973280e-01 5.00 -1.090664868e-01 -1.090664868e-01 5.02 -1.026824650e-01 -1.026824650e-01 5.04 -9.656291401e-02 -9.656291401e-02 5.06 -9.072306948e-02 -9.072306948e-02 5.08 -8.517495422e-02 -8.517495422e-02 5.10 -7.992679648e-02 -7.992679648e-02 5.12 -7.498270057e-02 -7.498270057e-02 5.14 -7.034258182e-02 -7.034258182e-02 5.16 -6.600234288e-02 -6.600234288e-02 5.18 -6.195423228e-02 -6.195423228e-02 5.20 -5.818739617e-02 -5.818739617e-02 5.22 -5.468850459e-02 -5.468850459e-02 5.24 -5.144241315e-02 -5.144241315e-02 5.26 -4.843281388e-02 -4.843281388e-02 5.28 -4.564205469e-02 -4.564205469e-02 5.30 -4.305285771e-02 -4.305285771e-02 5.32 -4.064945942e-02 -4.064945942e-02 5.34 -3.841655717e-02 -3.841655717e-02 5.36 -3.633965181e-02 -3.633965181e-02 5.38 -3.440527939e-02 -3.440527939e-02 5.40 -3.260114318e-02 -3.260114318e-02 5.42 -3.091616239e-02 -3.091616239e-02 5.44 -2.934045322e-02 -2.934045322e-02 5.46 -2.786525812e-02 -2.786525812e-02 5.48 -2.648283798e-02 -2.648283798e-02 5.50 -2.518634152e-02 -2.518634152e-02 5.52 -2.396966492e-02 -2.396966492e-02 5.54 -2.282731345e-02 -2.282731345e-02 5.56 -2.175427442e-02 -2.175427442e-02 5.58 -2.074590861e-02 -2.074590861e-02 5.60 -1.979786399e-02 -1.979786399e-02 5.62 -1.890601287e-02 -1.890601287e-02 5.64 -1.806641104e-02 -1.806641104e-02 5.66 -1.727527555e-02 -1.727527555e-02 5.68 -1.652897681e-02 -1.652897681e-02 5.70 -1.582404018e-02 -1.582404018e-02 5.72 -1.515715292e-02 -1.515715292e-02 5.74 -1.452517222e-02 -1.452517222e-02 5.76 -1.392509841e-02 -1.392509841e-02 5.78 -1.335413629e-02 -1.335413629e-02 5.80 -1.280969961e-02 -1.280969961e-02 5.82 -1.228938430e-02 -1.228938430e-02 5.84 -1.179096419e-02 -1.179096419e-02 5.86 -1.131238430e-02 -1.131238430e-02 5.88 -1.085175281e-02 -1.085175281e-02 5.90 -1.040733214e-02 -1.040733214e-02 5.92 -9.977530304e-03 -9.977530304e-03 5.94 -9.560892847e-03 -9.560892847e-03 5.96 -9.156096155e-03 -9.156096155e-03 5.98 -8.761942404e-03 -8.761942404e-03 6.00 -8.377356470e-03 -8.377356470e-03