# 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 = AgPb2Zr # 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 4.384025110e+02 4.384025110e+02 1.30 4.099664850e+02 4.099664850e+02 1.32 3.834997731e+02 3.834997731e+02 1.34 3.588473258e+02 3.588473258e+02 1.36 3.358668967e+02 3.358668967e+02 1.38 3.144289203e+02 3.144289203e+02 1.40 2.944161659e+02 2.944161659e+02 1.42 2.757233070e+02 2.757233070e+02 1.44 2.582558533e+02 2.582558533e+02 1.46 2.419279989e+02 2.419279989e+02 1.48 2.266602885e+02 2.266602885e+02 1.50 2.123783621e+02 2.123783621e+02 1.52 1.990128023e+02 1.990128023e+02 1.54 1.864992216e+02 1.864992216e+02 1.56 1.747780996e+02 1.747780996e+02 1.58 1.637943050e+02 1.637943050e+02 1.60 1.534966979e+02 1.534966979e+02 1.62 1.438379814e+02 1.438379814e+02 1.64 1.347747380e+02 1.347747380e+02 1.66 1.262673461e+02 1.262673461e+02 1.68 1.182796654e+02 1.182796654e+02 1.70 1.107784382e+02 1.107784382e+02 1.72 1.037326093e+02 1.037326093e+02 1.74 9.711280856e+01 9.711280856e+01 1.76 9.089117162e+01 9.089117162e+01 1.78 8.504140872e+01 8.504140872e+01 1.80 7.953914843e+01 7.953914843e+01 1.82 7.436209734e+01 7.436209734e+01 1.84 6.948939547e+01 6.948939547e+01 1.86 6.490590318e+01 6.490590318e+01 1.88 6.060369766e+01 6.060369766e+01 1.90 5.656588295e+01 5.656588295e+01 1.92 5.277604565e+01 5.277604565e+01 1.94 4.921866965e+01 4.921866965e+01 1.96 4.587913714e+01 4.587913714e+01 1.98 4.274375397e+01 4.274375397e+01 2.00 3.979974946e+01 3.979974946e+01 2.02 3.703522347e+01 3.703522347e+01 2.04 3.443907137e+01 3.443907137e+01 2.06 3.200092680e+01 3.200092680e+01 2.08 2.971113422e+01 2.971113422e+01 2.10 2.756073933e+01 2.756073933e+01 2.12 2.554144766e+01 2.554144766e+01 2.14 2.364555992e+01 2.364555992e+01 2.16 2.186588138e+01 2.186588138e+01 2.18 2.019563774e+01 2.019563774e+01 2.20 1.862842140e+01 1.862842140e+01 2.22 1.715815962e+01 1.715815962e+01 2.24 1.577910386e+01 1.577910386e+01 2.26 1.448582932e+01 1.448582932e+01 2.28 1.327323234e+01 1.327323234e+01 2.30 1.213653001e+01 1.213653001e+01 2.32 1.107124243e+01 1.107124243e+01 2.34 1.007315934e+01 1.007315934e+01 2.36 9.138309626e+00 9.138309626e+00 2.38 8.262926615e+00 8.262926615e+00 2.40 7.443422654e+00 7.443422654e+00 2.42 6.676372785e+00 6.676372785e+00 2.44 5.958517176e+00 5.958517176e+00 2.46 5.286769878e+00 5.286769878e+00 2.48 4.658236993e+00 4.658236993e+00 2.50 4.070231750e+00 4.070231750e+00 2.52 3.520278859e+00 3.520278859e+00 2.54 3.006104761e+00 3.006104761e+00 2.56 2.525616679e+00 2.525616679e+00 2.58 2.076851890e+00 2.076851890e+00 2.60 1.657967393e+00 1.657967393e+00 2.62 1.267325764e+00 1.267325764e+00 2.64 9.033704673e-01 9.033704673e-01 2.66 5.646138366e-01 5.646138366e-01 2.68 2.496284139e-01 2.496284139e-01 2.70 -4.295625863e-02 -4.295625863e-02 2.72 -3.144547823e-01 -3.144547823e-01 2.74 -5.661229247e-01 -5.661229247e-01 2.76 -7.990867449e-01 -7.990867449e-01 2.78 -1.014339302e+00 -1.014339302e+00 2.80 -1.212840263e+00 -1.212840263e+00 2.82 -1.395505799e+00 -1.395505799e+00 2.84 -1.563212363e+00 -1.563212363e+00 2.86 -1.716793410e+00 -1.716793410e+00 2.88 -1.857040212e+00 -1.857040212e+00 2.90 -1.984704008e+00 -1.984704008e+00 2.92 -2.100498883e+00 -2.100498883e+00 2.94 -2.205104921e+00 -2.205104921e+00 2.96 -2.299171341e+00 -2.299171341e+00 2.98 -2.383319475e+00 -2.383319475e+00 3.00 -2.458145464e+00 -2.458145464e+00 3.02 -2.524222569e+00 -2.524222569e+00 3.04 -2.582101055e+00 -2.582101055e+00 3.06 -2.632317945e+00 -2.632317945e+00 3.08 -2.675384447e+00 -2.675384447e+00 3.10 -2.711796016e+00 -2.711796016e+00 3.12 -2.742027975e+00 -2.742027975e+00 3.14 -2.766546065e+00 -2.766546065e+00 3.16 -2.785869153e+00 -2.785869153e+00 3.18 -2.800385442e+00 -2.800385442e+00 3.20 -2.810413159e+00 -2.810413159e+00 3.22 -2.816262673e+00 -2.816262673e+00 3.24 -2.818232528e+00 -2.818232528e+00 3.26 -2.816606631e+00 -2.816606631e+00 3.28 -2.811652923e+00 -2.811652923e+00 3.30 -2.803623315e+00 -2.803623315e+00 3.32 -2.792754312e+00 -2.792754312e+00 3.34 -2.779269915e+00 -2.779269915e+00 3.36 -2.763382941e+00 -2.763382941e+00 3.38 -2.745290519e+00 -2.745290519e+00 3.40 -2.725172900e+00 -2.725172900e+00 3.42 -2.703198893e+00 -2.703198893e+00 3.44 -2.679519648e+00 -2.679519648e+00 3.46 -2.654275493e+00 -2.654275493e+00 3.48 -2.627596091e+00 -2.627596091e+00 3.50 -2.599638082e+00 -2.599638082e+00 3.52 -2.570529190e+00 -2.570529190e+00 3.54 -2.540326822e+00 -2.540326822e+00 3.56 -2.509091398e+00 -2.509091398e+00 3.58 -2.476885408e+00 -2.476885408e+00 3.60 -2.443772444e+00 -2.443772444e+00 3.62 -2.409816599e+00 -2.409816599e+00 3.64 -2.375082241e+00 -2.375082241e+00 3.66 -2.339634107e+00 -2.339634107e+00 3.68 -2.303537234e+00 -2.303537234e+00 3.70 -2.266850493e+00 -2.266850493e+00 3.72 -2.229626743e+00 -2.229626743e+00 3.74 -2.191923998e+00 -2.191923998e+00 3.76 -2.153806080e+00 -2.153806080e+00 3.78 -2.115342706e+00 -2.115342706e+00 3.80 -2.076609351e+00 -2.076609351e+00 3.82 -2.037686740e+00 -2.037686740e+00 3.84 -1.998659823e+00 -1.998659823e+00 3.86 -1.959616093e+00 -1.959616093e+00 3.88 -1.920643233e+00 -1.920643233e+00 3.90 -1.881826207e+00 -1.881826207e+00 3.92 -1.843242397e+00 -1.843242397e+00 3.94 -1.804966011e+00 -1.804966011e+00 3.96 -1.767054371e+00 -1.767054371e+00 3.98 -1.729554835e+00 -1.729554835e+00 4.00 -1.692502599e+00 -1.692502599e+00 4.02 -1.655921627e+00 -1.655921627e+00 4.04 -1.619826296e+00 -1.619826296e+00 4.06 -1.584223387e+00 -1.584223387e+00 4.08 -1.549114105e+00 -1.549114105e+00 4.10 -1.514490200e+00 -1.514490200e+00 4.12 -1.480359473e+00 -1.480359473e+00 4.14 -1.446709318e+00 -1.446709318e+00 4.16 -1.413534121e+00 -1.413534121e+00 4.18 -1.380828958e+00 -1.380828958e+00 4.20 -1.348590114e+00 -1.348590114e+00 4.22 -1.316815453e+00 -1.316815453e+00 4.24 -1.285504657e+00 -1.285504657e+00 4.26 -1.254659328e+00 -1.254659328e+00 4.28 -1.224282955e+00 -1.224282955e+00 4.30 -1.194380727e+00 -1.194380727e+00 4.32 -1.164959195e+00 -1.164959195e+00 4.34 -1.136025803e+00 -1.136025803e+00 4.36 -1.107588328e+00 -1.107588328e+00 4.38 -1.079654271e+00 -1.079654271e+00 4.40 -1.052230274e+00 -1.052230274e+00 4.42 -1.025321621e+00 -1.025321621e+00 4.44 -9.989318590e-01 -9.989318590e-01 4.46 -9.730625719e-01 -9.730625719e-01 4.48 -9.477133077e-01 -9.477133077e-01 4.50 -9.228816355e-01 -9.228816355e-01 4.52 -8.985633029e-01 -8.985633029e-01 4.54 -8.747524564e-01 -8.747524564e-01 4.56 -8.514418885e-01 -8.514418885e-01 4.58 -8.286232848e-01 -8.286232848e-01 4.60 -8.062874535e-01 -8.062874535e-01 4.62 -7.844245283e-01 -7.844245283e-01 4.64 -7.630241434e-01 -7.630241434e-01 4.66 -7.420755875e-01 -7.420755875e-01 4.68 -7.215679418e-01 -7.215679418e-01 4.70 -7.014902124e-01 -7.014902124e-01 4.72 -6.818314636e-01 -6.818314636e-01 4.74 -6.625809581e-01 -6.625809581e-01 4.76 -6.437283077e-01 -6.437283077e-01 4.78 -6.252636347e-01 -6.252636347e-01 4.80 -6.071733470e-01 -6.071733470e-01 4.82 -5.894586056e-01 -5.894586056e-01 4.84 -5.721068297e-01 -5.721068297e-01 4.86 -5.551118521e-01 -5.551118521e-01 4.88 -5.384687602e-01 -5.384687602e-01 4.90 -5.221739535e-01 -5.221739535e-01 4.92 -5.062251368e-01 -5.062251368e-01 4.94 -4.906212391e-01 -4.906212391e-01 4.96 -4.753622530e-01 -4.753622530e-01 4.98 -4.604489977e-01 -4.604489977e-01 5.00 -4.458828184e-01 -4.458828184e-01 5.02 -4.316652436e-01 -4.316652436e-01 5.04 -4.177976279e-01 -4.177976279e-01 5.06 -4.042808162e-01 -4.042808162e-01 5.08 -3.911148574e-01 -3.911148574e-01 5.10 -3.782987973e-01 -3.782987973e-01 5.12 -3.658305658e-01 -3.658305658e-01 5.14 -3.537069647e-01 -3.537069647e-01 5.16 -3.419237468e-01 -3.419237468e-01 5.18 -3.304757709e-01 -3.304757709e-01 5.20 -3.193572066e-01 -3.193572066e-01 5.22 -3.085617611e-01 -3.085617611e-01 5.24 -2.980829048e-01 -2.980829048e-01 5.26 -2.879140709e-01 -2.879140709e-01 5.28 -2.780488195e-01 -2.780488195e-01 5.30 -2.684809569e-01 -2.684809569e-01 5.32 -2.592046116e-01 -2.592046116e-01 5.34 -2.502142707e-01 -2.502142707e-01 5.36 -2.415047838e-01 -2.415047838e-01 5.38 -2.330713380e-01 -2.330713380e-01 5.40 -2.249094099e-01 -2.249094099e-01 5.42 -2.170146928e-01 -2.170146928e-01 5.44 -2.093829999e-01 -2.093829999e-01 5.46 -2.020101434e-01 -2.020101434e-01 5.48 -1.948917906e-01 -1.948917906e-01 5.50 -1.880233046e-01 -1.880233046e-01 5.52 -1.813995791e-01 -1.813995791e-01 5.54 -1.750148845e-01 -1.750148845e-01 5.56 -1.688627384e-01 -1.688627384e-01 5.58 -1.629358189e-01 -1.629358189e-01 5.60 -1.572259285e-01 -1.572259285e-01 5.62 -1.517240157e-01 -1.517240157e-01 5.64 -1.464202516e-01 -1.464202516e-01 5.66 -1.413041526e-01 -1.413041526e-01 5.68 -1.363647398e-01 -1.363647398e-01 5.70 -1.315907183e-01 -1.315907183e-01 5.72 -1.269706649e-01 -1.269706649e-01 5.74 -1.224932109e-01 -1.224932109e-01 5.76 -1.181472127e-01 -1.181472127e-01 5.78 -1.139219030e-01 -1.139219030e-01 5.80 -1.098070219e-01 -1.098070219e-01 5.82 -1.057929252e-01 -1.057929252e-01 5.84 -1.018706747e-01 -1.018706747e-01 5.86 -9.803210847e-02 -9.803210847e-02 5.88 -9.426989762e-02 -9.426989762e-02 5.90 -9.057758812e-02 -9.057758812e-02 5.92 -8.694963127e-02 -8.694963127e-02 5.94 -8.338140262e-02 -8.338140262e-02 5.96 -7.986920991e-02 -7.986920991e-02 5.98 -7.641028936e-02 -7.641028936e-02 6.00 -7.300278861e-02 -7.300278861e-02