# 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 = Ag2CuPt # 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 2.364220470e+02 2.364220470e+02 1.30 2.190884047e+02 2.190884047e+02 1.32 2.029999174e+02 2.029999174e+02 1.34 1.880670650e+02 1.880670650e+02 1.36 1.742072239e+02 1.742072239e+02 1.38 1.613393748e+02 1.613393748e+02 1.40 1.493822804e+02 1.493822804e+02 1.42 1.382570557e+02 1.382570557e+02 1.44 1.278915628e+02 1.278915628e+02 1.46 1.182236954e+02 1.182236954e+02 1.48 1.092018745e+02 1.092018745e+02 1.50 1.007826456e+02 1.007826456e+02 1.52 9.292685228e+01 9.292685228e+01 1.54 8.559650822e+01 8.559650822e+01 1.56 7.875361315e+01 7.875361315e+01 1.58 7.236064258e+01 7.236064258e+01 1.60 6.638170062e+01 6.638170062e+01 1.62 6.078360542e+01 6.078360542e+01 1.64 5.553724546e+01 5.553724546e+01 1.66 5.066442912e+01 5.066442912e+01 1.68 4.616871068e+01 4.616871068e+01 1.70 4.202467644e+01 4.202467644e+01 1.72 3.820991422e+01 3.820991422e+01 1.74 3.470321023e+01 3.470321023e+01 1.76 3.148310289e+01 3.148310289e+01 1.78 2.852741579e+01 2.852741579e+01 1.80 2.581384427e+01 2.581384427e+01 1.82 2.332099351e+01 2.332099351e+01 1.84 2.102916276e+01 2.102916276e+01 1.86 1.892059563e+01 1.892059563e+01 1.88 1.697934756e+01 1.697934756e+01 1.90 1.519105559e+01 1.519105559e+01 1.92 1.354278831e+01 1.354278831e+01 1.94 1.202299018e+01 1.202299018e+01 1.96 1.062144394e+01 1.062144394e+01 1.98 9.329177800e+00 9.329177800e+00 2.00 8.138291415e+00 8.138291415e+00 2.02 7.041726996e+00 7.041726996e+00 2.04 6.033041499e+00 6.033041499e+00 2.06 5.106229088e+00 5.106229088e+00 2.08 4.255610378e+00 4.255610378e+00 2.10 3.475777519e+00 3.475777519e+00 2.12 2.761577003e+00 2.761577003e+00 2.14 2.108117064e+00 2.108117064e+00 2.16 1.510790174e+00 1.510790174e+00 2.18 9.652997105e-01 9.652997105e-01 2.20 4.676788289e-01 4.676788289e-01 2.22 1.429343063e-02 1.429343063e-02 2.24 -3.981717052e-01 -3.981717052e-01 2.26 -7.727390389e-01 -7.727390389e-01 2.28 -1.112170450e+00 -1.112170450e+00 2.30 -1.419000176e+00 -1.419000176e+00 2.32 -1.695564706e+00 -1.695564706e+00 2.34 -1.944032429e+00 -1.944032429e+00 2.36 -2.167412269e+00 -2.167412269e+00 2.38 -2.367998426e+00 -2.367998426e+00 2.40 -2.547139643e+00 -2.547139643e+00 2.42 -2.706162164e+00 -2.706162164e+00 2.44 -2.846375652e+00 -2.846375652e+00 2.46 -2.969078932e+00 -2.969078932e+00 2.48 -3.075564942e+00 -3.075564942e+00 2.50 -3.167124596e+00 -3.167124596e+00 2.52 -3.245046961e+00 -3.245046961e+00 2.54 -3.310611079e+00 -3.310611079e+00 2.56 -3.365066323e+00 -3.365066323e+00 2.58 -3.409603441e+00 -3.409603441e+00 2.60 -3.445323468e+00 -3.445323468e+00 2.62 -3.473212684e+00 -3.473212684e+00 2.64 -3.494129229e+00 -3.494129229e+00 2.66 -3.508983188e+00 -3.508983188e+00 2.68 -3.518342660e+00 -3.518342660e+00 2.70 -3.522478370e+00 -3.522478370e+00 2.72 -3.521615088e+00 -3.521615088e+00 2.74 -3.515940950e+00 -3.515940950e+00 2.76 -3.505615336e+00 -3.505615336e+00 2.78 -3.490775139e+00 -3.490775139e+00 2.80 -3.471540806e+00 -3.471540806e+00 2.82 -3.448027603e+00 -3.448027603e+00 2.84 -3.420407361e+00 -3.420407361e+00 2.86 -3.388971916e+00 -3.388971916e+00 2.88 -3.353780515e+00 -3.353780515e+00 2.90 -3.314926394e+00 -3.314926394e+00 2.92 -3.272586861e+00 -3.272586861e+00 2.94 -3.227027125e+00 -3.227027125e+00 2.96 -3.178595195e+00 -3.178595195e+00 2.98 -3.127706045e+00 -3.127706045e+00 3.00 -3.074816003e+00 -3.074816003e+00 3.02 -3.020391445e+00 -3.020391445e+00 3.04 -2.964883426e+00 -2.964883426e+00 3.06 -2.908701281e+00 -2.908701281e+00 3.08 -2.852187030e+00 -2.852187030e+00 3.10 -2.795610410e+00 -2.795610410e+00 3.12 -2.739222587e+00 -2.739222587e+00 3.14 -2.683247714e+00 -2.683247714e+00 3.16 -2.627826331e+00 -2.627826331e+00 3.18 -2.573033474e+00 -2.573033474e+00 3.20 -2.518898101e+00 -2.518898101e+00 3.22 -2.465419133e+00 -2.465419133e+00 3.24 -2.412578053e+00 -2.412578053e+00 3.26 -2.360348414e+00 -2.360348414e+00 3.28 -2.308702727e+00 -2.308702727e+00 3.30 -2.257617230e+00 -2.257617230e+00 3.32 -2.207074954e+00 -2.207074954e+00 3.34 -2.157067450e+00 -2.157067450e+00 3.36 -2.107595407e+00 -2.107595407e+00 3.38 -2.058668397e+00 -2.058668397e+00 3.40 -2.010303902e+00 -2.010303902e+00 3.42 -1.962525830e+00 -1.962525830e+00 3.44 -1.915362682e+00 -1.915362682e+00 3.46 -1.868845589e+00 -1.868845589e+00 3.48 -1.823006349e+00 -1.823006349e+00 3.50 -1.777875632e+00 -1.777875632e+00 3.52 -1.733481431e+00 -1.733481431e+00 3.54 -1.689847830e+00 -1.689847830e+00 3.56 -1.646994093e+00 -1.646994093e+00 3.58 -1.604934091e+00 -1.604934091e+00 3.60 -1.563676030e+00 -1.563676030e+00 3.62 -1.523222460e+00 -1.523222460e+00 3.64 -1.483570532e+00 -1.483570532e+00 3.66 -1.444712473e+00 -1.444712473e+00 3.68 -1.406636241e+00 -1.406636241e+00 3.70 -1.369326322e+00 -1.369326322e+00 3.72 -1.332764605e+00 -1.332764605e+00 3.74 -1.296931267e+00 -1.296931267e+00 3.76 -1.261805578e+00 -1.261805578e+00 3.78 -1.227366551e+00 -1.227366551e+00 3.80 -1.193593340e+00 -1.193593340e+00 3.82 -1.160465361e+00 -1.160465361e+00 3.84 -1.127962131e+00 -1.127962131e+00 3.86 -1.096062886e+00 -1.096062886e+00 3.88 -1.064746097e+00 -1.064746097e+00 3.90 -1.033989004e+00 -1.033989004e+00 3.92 -1.003767317e+00 -1.003767317e+00 3.94 -9.740551858e-01 -9.740551858e-01 3.96 -9.448254695e-01 -9.448254695e-01 3.98 -9.160503559e-01 -9.160503559e-01 4.00 -8.877022648e-01 -8.877022648e-01 4.02 -8.597549941e-01 -8.597549941e-01 4.04 -8.321850316e-01 -8.321850316e-01 4.06 -8.049729509e-01 -8.049729509e-01 4.08 -7.781047904e-01 -7.781047904e-01 4.10 -7.515732965e-01 -7.515732965e-01 4.12 -7.253789236e-01 -7.253789236e-01 4.14 -6.995303841e-01 -6.995303841e-01 4.16 -6.740447176e-01 -6.740447176e-01 4.18 -6.489467270e-01 -6.489467270e-01 4.20 -6.242678039e-01 -6.242678039e-01 4.22 -6.000442186e-01 -6.000442186e-01 4.24 -5.763150449e-01 -5.763150449e-01 4.26 -5.531199431e-01 -5.531199431e-01 4.28 -5.304970454e-01 -5.304970454e-01 4.30 -5.084811433e-01 -5.084811433e-01 4.32 -4.871023053e-01 -4.871023053e-01 4.34 -4.663849546e-01 -4.663849546e-01 4.36 -4.463473543e-01 -4.463473543e-01 4.38 -4.270013902e-01 -4.270013902e-01 4.40 -4.083525285e-01 -4.083525285e-01 4.42 -3.903998418e-01 -3.903998418e-01 4.44 -3.731360415e-01 -3.731360415e-01 4.46 -3.565475059e-01 -3.565475059e-01 4.48 -3.406143396e-01 -3.406143396e-01 4.50 -3.253105305e-01 -3.253105305e-01 4.52 -3.106042802e-01 -3.106042802e-01 4.54 -2.964585738e-01 -2.964585738e-01 4.56 -2.828320276e-01 -2.828320276e-01 4.58 -2.696800172e-01 -2.696800172e-01 4.60 -2.569560577e-01 -2.569560577e-01 4.62 -2.446133743e-01 -2.446133743e-01 4.64 -2.326065889e-01 -2.326065889e-01 4.66 -2.208934375e-01 -2.208934375e-01 4.68 -2.094364298e-01 -2.094364298e-01 4.70 -1.982043677e-01 -1.982043677e-01 4.72 -1.871736380e-01 -1.871736380e-01 4.74 -1.763292000e-01 -1.763292000e-01 4.76 -1.656651905e-01 -1.656651905e-01 4.78 -1.551850821e-01 -1.551850821e-01 4.80 -1.449013454e-01 -1.449013454e-01 4.82 -1.348346091e-01 -1.348346091e-01 4.84 -1.250123182e-01 -1.250123182e-01 4.86 -1.154669945e-01 -1.154669945e-01 4.88 -1.062341919e-01 -1.062341919e-01 4.90 -9.735030935e-02 -9.735030935e-02 4.92 -8.885043195e-02 -8.885043195e-02 4.94 -8.076636397e-02 -8.076636397e-02 4.96 -7.312499419e-02 -7.312499419e-02 4.98 -6.594708690e-02 -6.594708690e-02 5.00 -5.924654127e-02 -5.924654127e-02 5.02 -5.303011095e-02 -5.303011095e-02 5.04 -4.729753520e-02 -4.729753520e-02 5.06 -4.204200615e-02 -4.204200615e-02 5.08 -3.725088325e-02 -3.725088325e-02 5.10 -3.290656713e-02 -3.290656713e-02 5.12 -2.898746650e-02 -2.898746650e-02 5.14 -2.546896548e-02 -2.546896548e-02 5.16 -2.232431971e-02 -2.232431971e-02 5.18 -1.952511468e-02 -1.952511468e-02 5.20 -1.704340379e-02 -1.704340379e-02 5.22 -1.485158163e-02 -1.485158163e-02 5.24 -1.292203069e-02 -1.292203069e-02 5.26 -1.122830086e-02 -1.122830086e-02 5.28 -9.745448993e-03 -9.745448993e-03 5.30 -8.450238904e-03 -8.450238904e-03 5.32 -7.321253047e-03 -7.321253047e-03 5.34 -6.338932600e-03 -6.338932600e-03 5.36 -5.485561267e-03 -5.485561267e-03 5.38 -4.745206563e-03 -4.745206563e-03 5.40 -4.103630542e-03 -4.103630542e-03 5.42 -3.548180151e-03 -3.548180151e-03 5.44 -3.067665545e-03 -3.067665545e-03 5.46 -2.652233030e-03 -2.652233030e-03 5.48 -2.293237715e-03 -2.293237715e-03 5.50 -1.983119642e-03 -1.983119642e-03 5.52 -1.715285993e-03 -1.715285993e-03 5.54 -1.484001074e-03 -1.484001074e-03 5.56 -1.284285019e-03 -1.284285019e-03 5.58 -1.111821613e-03 -1.111821613e-03 5.60 -9.628752361e-04 -9.628752361e-04 5.62 -8.342166136e-04 -8.342166136e-04 5.64 -7.230568987e-04 -7.230568987e-04 5.66 -6.269894798e-04 -6.269894798e-04 5.68 -5.439388550e-04 -5.439388550e-04 5.70 -4.721158961e-04 -4.721158961e-04 5.72 -4.099788377e-04 -4.099788377e-04 5.74 -3.561993558e-04 -3.561993558e-04 5.76 -3.096331422e-04 -3.096331422e-04 5.78 -2.692944311e-04 -2.692944311e-04 5.80 -2.343339835e-04 -2.343339835e-04 5.82 -2.040200851e-04 -2.040200851e-04 5.84 -1.777221656e-04 -1.777221656e-04 5.86 -1.548966882e-04 -1.548966882e-04 5.88 -1.350750049e-04 -1.350750049e-04 5.90 -1.178529087e-04 -1.178529087e-04 5.92 -1.028816491e-04 -1.028816491e-04 5.94 -8.986020798e-05 -8.986020798e-05 5.96 -7.852866095e-05 -7.852866095e-05 5.98 -6.866247079e-05 -6.866247079e-05 6.00 -6.006758306e-05 -6.006758306e-05