# 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 = Ag2PbZr # 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 3.730594091e+02 3.730594091e+02 1.30 3.476801615e+02 3.476801615e+02 1.32 3.241082484e+02 3.241082484e+02 1.34 3.022017694e+02 3.022017694e+02 1.36 2.818311092e+02 2.818311092e+02 1.38 2.628773995e+02 2.628773995e+02 1.40 2.452314258e+02 2.452314258e+02 1.42 2.287932067e+02 2.287932067e+02 1.44 2.134714973e+02 2.134714973e+02 1.46 1.991831389e+02 1.991831389e+02 1.48 1.858524962e+02 1.858524962e+02 1.50 1.734108860e+02 1.734108860e+02 1.52 1.617956854e+02 1.617956854e+02 1.54 1.509492583e+02 1.509492583e+02 1.56 1.408179266e+02 1.408179266e+02 1.58 1.313514490e+02 1.313514490e+02 1.60 1.225029637e+02 1.225029637e+02 1.62 1.142291603e+02 1.142291603e+02 1.64 1.064903294e+02 1.064903294e+02 1.66 9.925017025e+01 9.925017025e+01 1.68 9.247533819e+01 9.247533819e+01 1.70 8.613483995e+01 8.613483995e+01 1.72 8.019953906e+01 8.019953906e+01 1.74 7.464190109e+01 7.464190109e+01 1.76 6.943598307e+01 6.943598307e+01 1.78 6.455795754e+01 6.455795754e+01 1.80 5.998571597e+01 5.998571597e+01 1.82 5.569961834e+01 5.569961834e+01 1.84 5.168695929e+01 5.168695929e+01 1.86 4.793270108e+01 4.793270108e+01 1.88 4.442021444e+01 4.442021444e+01 1.90 4.113395213e+01 4.113395213e+01 1.92 3.805942820e+01 3.805942820e+01 1.94 3.518320089e+01 3.518320089e+01 1.96 3.249280649e+01 3.249280649e+01 1.98 2.997669324e+01 2.997669324e+01 2.00 2.762412929e+01 2.762412929e+01 2.02 2.542508175e+01 2.542508175e+01 2.04 2.337009181e+01 2.337009181e+01 2.06 2.145017554e+01 2.145017554e+01 2.08 1.965677685e+01 1.965677685e+01 2.10 1.798174953e+01 1.798174953e+01 2.12 1.641739068e+01 1.641739068e+01 2.14 1.495646515e+01 1.495646515e+01 2.16 1.359222914e+01 1.359222914e+01 2.18 1.231842335e+01 1.231842335e+01 2.20 1.112924584e+01 1.112924584e+01 2.22 1.001930095e+01 1.001930095e+01 2.24 8.983556072e+00 8.983556072e+00 2.26 8.017311452e+00 8.017311452e+00 2.28 7.116188988e+00 7.116188988e+00 2.30 6.276116915e+00 6.276116915e+00 2.32 5.493305529e+00 5.493305529e+00 2.34 4.764237020e+00 4.764237020e+00 2.36 4.085621370e+00 4.085621370e+00 2.38 3.454372518e+00 3.454372518e+00 2.40 2.867587869e+00 2.867587869e+00 2.42 2.322529839e+00 2.322529839e+00 2.44 1.816615878e+00 1.816615878e+00 2.46 1.347400376e+00 1.347400376e+00 2.48 9.125604911e-01 9.125604911e-01 2.50 5.098849706e-01 5.098849706e-01 2.52 1.372592431e-01 1.372592431e-01 2.54 -2.073667312e-01 -2.073667312e-01 2.56 -5.258016626e-01 -5.258016626e-01 2.58 -8.197208723e-01 -8.197208723e-01 2.60 -1.090689493e+00 -1.090689493e+00 2.62 -1.340166362e+00 -1.340166362e+00 2.64 -1.569522767e+00 -1.569522767e+00 2.66 -1.780038023e+00 -1.780038023e+00 2.68 -1.972899221e+00 -1.972899221e+00 2.70 -2.149094312e+00 -2.149094312e+00 2.72 -2.309521366e+00 -2.309521366e+00 2.74 -2.455057681e+00 -2.455057681e+00 2.76 -2.586554927e+00 -2.586554927e+00 2.78 -2.704832361e+00 -2.704832361e+00 2.80 -2.810679944e+00 -2.810679944e+00 2.82 -2.904843205e+00 -2.904843205e+00 2.84 -2.988030521e+00 -2.988030521e+00 2.86 -3.060911408e+00 -3.060911408e+00 2.88 -3.124118831e+00 -3.124118831e+00 2.90 -3.178252615e+00 -3.178252615e+00 2.92 -3.223883412e+00 -3.223883412e+00 2.94 -3.261556815e+00 -3.261556815e+00 2.96 -3.291797300e+00 -3.291797300e+00 2.98 -3.315111720e+00 -3.315111720e+00 3.00 -3.331992011e+00 -3.331992011e+00 3.02 -3.342916743e+00 -3.342916743e+00 3.04 -3.348349620e+00 -3.348349620e+00 3.06 -3.348744491e+00 -3.348744491e+00 3.08 -3.344531988e+00 -3.344531988e+00 3.10 -3.336123295e+00 -3.336123295e+00 3.12 -3.323902568e+00 -3.323902568e+00 3.14 -3.308234179e+00 -3.308234179e+00 3.16 -3.289575463e+00 -3.289575463e+00 3.18 -3.268235656e+00 -3.268235656e+00 3.20 -3.244353431e+00 -3.244353431e+00 3.22 -3.218074625e+00 -3.218074625e+00 3.24 -3.189551864e+00 -3.189551864e+00 3.26 -3.158944647e+00 -3.158944647e+00 3.28 -3.126419198e+00 -3.126419198e+00 3.30 -3.092147412e+00 -3.092147412e+00 3.32 -3.056304318e+00 -3.056304318e+00 3.34 -3.019065480e+00 -3.019065480e+00 3.36 -2.980619046e+00 -2.980619046e+00 3.38 -2.941156516e+00 -2.941156516e+00 3.40 -2.900801873e+00 -2.900801873e+00 3.42 -2.859666984e+00 -2.859666984e+00 3.44 -2.817848145e+00 -2.817848145e+00 3.46 -2.775432383e+00 -2.775432383e+00 3.48 -2.732497709e+00 -2.732497709e+00 3.50 -2.689114860e+00 -2.689114860e+00 3.52 -2.645348684e+00 -2.645348684e+00 3.54 -2.601257842e+00 -2.601257842e+00 3.56 -2.556889823e+00 -2.556889823e+00 3.58 -2.512285964e+00 -2.512285964e+00 3.60 -2.467484991e+00 -2.467484991e+00 3.62 -2.422522715e+00 -2.422522715e+00 3.64 -2.377432012e+00 -2.377432012e+00 3.66 -2.332243082e+00 -2.332243082e+00 3.68 -2.286984004e+00 -2.286984004e+00 3.70 -2.241681617e+00 -2.241681617e+00 3.72 -2.196362666e+00 -2.196362666e+00 3.74 -2.151055173e+00 -2.151055173e+00 3.76 -2.105789937e+00 -2.105789937e+00 3.78 -2.060602022e+00 -2.060602022e+00 3.80 -2.015532055e+00 -2.015532055e+00 3.82 -1.970627075e+00 -1.970627075e+00 3.84 -1.925940673e+00 -1.925940673e+00 3.86 -1.881532203e+00 -1.881532203e+00 3.88 -1.837464972e+00 -1.837464972e+00 3.90 -1.793803549e+00 -1.793803549e+00 3.92 -1.750608840e+00 -1.750608840e+00 3.94 -1.707942061e+00 -1.707942061e+00 3.96 -1.665850753e+00 -1.665850753e+00 3.98 -1.624375038e+00 -1.624375038e+00 4.00 -1.583544929e+00 -1.583544929e+00 4.02 -1.543380779e+00 -1.543380779e+00 4.04 -1.503894511e+00 -1.503894511e+00 4.06 -1.465091279e+00 -1.465091279e+00 4.08 -1.426971251e+00 -1.426971251e+00 4.10 -1.389526641e+00 -1.389526641e+00 4.12 -1.352762667e+00 -1.352762667e+00 4.14 -1.316668035e+00 -1.316668035e+00 4.16 -1.281237504e+00 -1.281237504e+00 4.18 -1.246466896e+00 -1.246466896e+00 4.20 -1.212353653e+00 -1.212353653e+00 4.22 -1.178897235e+00 -1.178897235e+00 4.24 -1.146099334e+00 -1.146099334e+00 4.26 -1.113963905e+00 -1.113963905e+00 4.28 -1.082496978e+00 -1.082496978e+00 4.30 -1.051706235e+00 -1.051706235e+00 4.32 -1.021600378e+00 -1.021600378e+00 4.34 -9.921882925e-01 -9.921882925e-01 4.36 -9.634781037e-01 -9.634781037e-01 4.38 -9.354761957e-01 -9.354761957e-01 4.40 -9.081863103e-01 -9.081863103e-01 4.42 -8.816088154e-01 -8.816088154e-01 4.44 -8.557402157e-01 -8.557402157e-01 4.46 -8.305729432e-01 -8.305729432e-01 4.48 -8.060954210e-01 -8.060954210e-01 4.50 -7.822923644e-01 -7.822923644e-01 4.52 -7.591452573e-01 -7.591452573e-01 4.54 -7.366329352e-01 -7.366329352e-01 4.56 -7.147322092e-01 -7.147322092e-01 4.58 -6.934184778e-01 -6.934184778e-01 4.60 -6.726662893e-01 -6.726662893e-01 4.62 -6.524498390e-01 -6.524498390e-01 4.64 -6.327433939e-01 -6.327433939e-01 4.66 -6.135216543e-01 -6.135216543e-01 4.68 -5.947600658e-01 -5.947600658e-01 4.70 -5.764350968e-01 -5.764350968e-01 4.72 -5.585245010e-01 -5.585245010e-01 4.74 -5.410075758e-01 -5.410075758e-01 4.76 -5.238654269e-01 -5.238654269e-01 4.78 -5.070812440e-01 -5.070812440e-01 4.80 -4.906367648e-01 -4.906367648e-01 4.82 -4.745284534e-01 -4.745284534e-01 4.84 -4.587428368e-01 -4.587428368e-01 4.86 -4.432741237e-01 -4.432741237e-01 4.88 -4.281197468e-01 -4.281197468e-01 4.90 -4.132803814e-01 -4.132803814e-01 4.92 -3.987598230e-01 -3.987598230e-01 4.94 -3.845647014e-01 -3.845647014e-01 4.96 -3.707040216e-01 -3.707040216e-01 4.98 -3.571885374e-01 -3.571885374e-01 5.00 -3.440299856e-01 -3.440299856e-01 5.02 -3.312402273e-01 -3.312402273e-01 5.04 -3.188303589e-01 -3.188303589e-01 5.06 -3.068098644e-01 -3.068098644e-01 5.08 -2.951858802e-01 -2.951858802e-01 5.10 -2.839626320e-01 -2.839626320e-01 5.12 -2.731410853e-01 -2.731410853e-01 5.14 -2.627188269e-01 -2.627188269e-01 5.16 -2.526901698e-01 -2.526901698e-01 5.18 -2.430464525e-01 -2.430464525e-01 5.20 -2.337764886e-01 -2.337764886e-01 5.22 -2.248671159e-01 -2.248671159e-01 5.24 -2.163037927e-01 -2.163037927e-01 5.26 -2.080711942e-01 -2.080711942e-01 5.28 -2.001537749e-01 -2.001537749e-01 5.30 -1.925362702e-01 -1.925362702e-01 5.32 -1.852041189e-01 -1.852041189e-01 5.34 -1.781438000e-01 -1.781438000e-01 5.36 -1.713429905e-01 -1.713429905e-01 5.38 -1.647908055e-01 -1.647908055e-01 5.40 -1.584780626e-01 -1.584780626e-01 5.42 -1.523970112e-01 -1.523970112e-01 5.44 -1.465412215e-01 -1.465412215e-01 5.46 -1.409053922e-01 -1.409053922e-01 5.48 -1.354850888e-01 -1.354850888e-01 5.50 -1.302764273e-01 -1.302764273e-01 5.52 -1.252757318e-01 -1.252757318e-01 5.54 -1.204791964e-01 -1.204791964e-01 5.56 -1.158825807e-01 -1.158825807e-01 5.58 -1.114809654e-01 -1.114809654e-01 5.60 -1.072685024e-01 -1.072685024e-01 5.62 -1.032380168e-01 -1.032380168e-01 5.64 -9.938214998e-02 -9.938214998e-02 5.66 -9.569273385e-02 -9.569273385e-02 5.68 -9.216079218e-02 -9.216079218e-02 5.70 -8.877674922e-02 -8.877674922e-02 5.72 -8.553065188e-02 -8.553065188e-02 5.74 -8.241238744e-02 -8.241238744e-02 5.76 -7.941188334e-02 -7.941188334e-02 5.78 -7.651928041e-02 -7.651928041e-02 5.80 -7.372507583e-02 -7.372507583e-02 5.82 -7.102023552e-02 -7.102023552e-02 5.84 -6.839627807e-02 -6.839627807e-02 5.86 -6.584533412e-02 -6.584533412e-02 5.88 -6.336018552e-02 -6.336018552e-02 5.90 -6.093428838e-02 -6.093428838e-02 5.92 -5.856178405e-02 -5.856178405e-02 5.94 -5.623750120e-02 -5.623750120e-02 5.96 -5.395695130e-02 -5.395695130e-02 5.98 -5.171631959e-02 -5.171631959e-02 6.00 -4.951245280e-02 -4.951245280e-02