# 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 = Ag2PdPt # 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 3.071302855e+02 3.071302855e+02 1.30 2.852100635e+02 2.852100635e+02 1.32 2.648344081e+02 2.648344081e+02 1.34 2.458860191e+02 2.458860191e+02 1.36 2.282603978e+02 2.282603978e+02 1.38 2.118605078e+02 2.118605078e+02 1.40 1.965936290e+02 1.965936290e+02 1.42 1.823715739e+02 1.823715739e+02 1.44 1.691125941e+02 1.691125941e+02 1.46 1.567435012e+02 1.567435012e+02 1.48 1.452005523e+02 1.452005523e+02 1.50 1.344278111e+02 1.344278111e+02 1.52 1.243736620e+02 1.243736620e+02 1.54 1.149878685e+02 1.149878685e+02 1.56 1.062207489e+02 1.062207489e+02 1.58 9.802403227e+01 9.802403227e+01 1.60 9.035214520e+01 9.035214520e+01 1.62 8.316324134e+01 8.316324134e+01 1.64 7.641993280e+01 7.641993280e+01 1.66 7.008976112e+01 7.008976112e+01 1.68 6.414935576e+01 6.414935576e+01 1.70 5.864114878e+01 5.864114878e+01 1.72 5.355974524e+01 5.355974524e+01 1.74 4.887513628e+01 4.887513628e+01 1.76 4.455802563e+01 4.455802563e+01 1.78 4.057968250e+01 4.057968250e+01 1.80 3.691258186e+01 3.691258186e+01 1.82 3.353126290e+01 3.353126290e+01 1.84 3.041284007e+01 3.041284007e+01 1.86 2.753695259e+01 2.753695259e+01 1.88 2.488529575e+01 2.488529575e+01 1.90 2.244104424e+01 2.244104424e+01 1.92 2.018844484e+01 2.018844484e+01 1.94 1.811269386e+01 1.811269386e+01 1.96 1.620002846e+01 1.620002846e+01 1.98 1.443785699e+01 1.443785699e+01 2.00 1.281477908e+01 1.281477908e+01 2.02 1.132046059e+01 1.132046059e+01 2.04 9.945433666e+00 9.945433666e+00 2.06 8.680914915e+00 8.680914915e+00 2.08 7.518689072e+00 7.518689072e+00 2.10 6.451052031e+00 6.451052031e+00 2.12 5.470787867e+00 5.470787867e+00 2.14 4.571162225e+00 4.571162225e+00 2.16 3.745925586e+00 3.745925586e+00 2.18 2.989321752e+00 2.989321752e+00 2.20 2.296093707e+00 2.296093707e+00 2.22 1.661478428e+00 1.661478428e+00 2.24 1.081186081e+00 1.081186081e+00 2.26 5.513640867e-01 5.513640867e-01 2.28 6.854965167e-02 6.854965167e-02 2.30 -3.703850555e-01 -3.703850555e-01 2.32 -7.682916512e-01 -7.682916512e-01 2.34 -1.127804975e+00 -1.127804975e+00 2.36 -1.451399632e+00 -1.451399632e+00 2.38 -1.741439281e+00 -1.741439281e+00 2.40 -2.000957529e+00 -2.000957529e+00 2.42 -2.232992536e+00 -2.232992536e+00 2.44 -2.439324852e+00 -2.439324852e+00 2.46 -2.621762982e+00 -2.621762982e+00 2.48 -2.782138916e+00 -2.782138916e+00 2.50 -2.922287602e+00 -2.922287602e+00 2.52 -3.044020622e+00 -3.044020622e+00 2.54 -3.149093611e+00 -3.149093611e+00 2.56 -3.239169522e+00 -3.239169522e+00 2.58 -3.315783292e+00 -3.315783292e+00 2.60 -3.380314858e+00 -3.380314858e+00 2.62 -3.433975008e+00 -3.433975008e+00 2.64 -3.477804114e+00 -3.477804114e+00 2.66 -3.512770334e+00 -3.512770334e+00 2.68 -3.539869968e+00 -3.539869968e+00 2.70 -3.559568690e+00 -3.559568690e+00 2.72 -3.572221679e+00 -3.572221679e+00 2.74 -3.578131319e+00 -3.578131319e+00 2.76 -3.577563472e+00 -3.577563472e+00 2.78 -3.570762630e+00 -3.570762630e+00 2.80 -3.557965508e+00 -3.557965508e+00 2.82 -3.539413708e+00 -3.539413708e+00 2.84 -3.515381771e+00 -3.515381771e+00 2.86 -3.486200193e+00 -3.486200193e+00 2.88 -3.452235304e+00 -3.452235304e+00 2.90 -3.413953537e+00 -3.413953537e+00 2.92 -3.371936539e+00 -3.371936539e+00 2.94 -3.326565770e+00 -3.326565770e+00 2.96 -3.278272761e+00 -3.278272761e+00 2.98 -3.227537423e+00 -3.227537423e+00 3.00 -3.174858120e+00 -3.174858120e+00 3.02 -3.120719358e+00 -3.120719358e+00 3.04 -3.065562605e+00 -3.065562605e+00 3.06 -3.009765035e+00 -3.009765035e+00 3.08 -2.953629148e+00 -2.953629148e+00 3.10 -2.897389089e+00 -2.897389089e+00 3.12 -2.841213576e+00 -2.841213576e+00 3.14 -2.785211163e+00 -2.785211163e+00 3.16 -2.729485080e+00 -2.729485080e+00 3.18 -2.674143957e+00 -2.674143957e+00 3.20 -2.619250052e+00 -2.619250052e+00 3.22 -2.564832102e+00 -2.564832102e+00 3.24 -2.510899107e+00 -2.510899107e+00 3.26 -2.457450520e+00 -2.457450520e+00 3.28 -2.404483464e+00 -2.404483464e+00 3.30 -2.351997586e+00 -2.351997586e+00 3.32 -2.299998065e+00 -2.299998065e+00 3.34 -2.248497174e+00 -2.248497174e+00 3.36 -2.197514710e+00 -2.197514710e+00 3.38 -2.147077533e+00 -2.147077533e+00 3.40 -2.097218437e+00 -2.097218437e+00 3.42 -2.047974580e+00 -2.047974580e+00 3.44 -1.999385638e+00 -1.999385638e+00 3.46 -1.951491915e+00 -1.951491915e+00 3.48 -1.904332515e+00 -1.904332515e+00 3.50 -1.857943718e+00 -1.857943718e+00 3.52 -1.812357612e+00 -1.812357612e+00 3.54 -1.767601004e+00 -1.767601004e+00 3.56 -1.723694612e+00 -1.723694612e+00 3.58 -1.680652526e+00 -1.680652526e+00 3.60 -1.638481882e+00 -1.638481882e+00 3.62 -1.597182761e+00 -1.597182761e+00 3.64 -1.556748256e+00 -1.556748256e+00 3.66 -1.517164734e+00 -1.517164734e+00 3.68 -1.478412264e+00 -1.478412264e+00 3.70 -1.440465223e+00 -1.440465223e+00 3.72 -1.403293077e+00 -1.403293077e+00 3.74 -1.366861316e+00 -1.366861316e+00 3.76 -1.331132524e+00 -1.331132524e+00 3.78 -1.296067535e+00 -1.296067535e+00 3.80 -1.261626613e+00 -1.261626613e+00 3.82 -1.227770597e+00 -1.227770597e+00 3.84 -1.194461923e+00 -1.194461923e+00 3.86 -1.161665490e+00 -1.161665490e+00 3.88 -1.129349319e+00 -1.129349319e+00 3.90 -1.097484993e+00 -1.097484993e+00 3.92 -1.066047923e+00 -1.066047923e+00 3.94 -1.035017476e+00 -1.035017476e+00 3.96 -1.004377025e+00 -1.004377025e+00 3.98 -9.741140184e-01 -9.741140184e-01 4.00 -9.442201195e-01 -9.442201195e-01 4.02 -9.146914525e-01 -9.146914525e-01 4.04 -8.855289727e-01 -8.855289727e-01 4.06 -8.567389205e-01 -8.567389205e-01 4.08 -8.283332888e-01 -8.283332888e-01 4.10 -8.003301900e-01 -8.003301900e-01 4.12 -7.727540227e-01 -7.727540227e-01 4.14 -7.456352387e-01 -7.456352387e-01 4.16 -7.190097010e-01 -7.190097010e-01 4.18 -6.929175031e-01 -6.929175031e-01 4.20 -6.674012956e-01 -6.674012956e-01 4.22 -6.425042070e-01 -6.425042070e-01 4.24 -6.182675241e-01 -6.182675241e-01 4.26 -5.947283446e-01 -5.947283446e-01 4.28 -5.719174181e-01 -5.719174181e-01 4.30 -5.498573637e-01 -5.498573637e-01 4.32 -5.285613892e-01 -5.285613892e-01 4.34 -5.080325610e-01 -5.080325610e-01 4.36 -4.882636136e-01 -4.882636136e-01 4.38 -4.692372353e-01 -4.692372353e-01 4.40 -4.509267520e-01 -4.509267520e-01 4.42 -4.332971230e-01 -4.332971230e-01 4.44 -4.163061712e-01 -4.163061712e-01 4.46 -3.999059786e-01 -3.999059786e-01 4.48 -3.840443871e-01 -3.840443871e-01 4.50 -3.686665513e-01 -3.686665513e-01 4.52 -3.537164980e-01 -3.537164980e-01 4.54 -3.391386581e-01 -3.391386581e-01 4.56 -3.248793450e-01 -3.248793450e-01 4.58 -3.108881671e-01 -3.108881671e-01 4.60 -2.971193632e-01 -2.971193632e-01 4.62 -2.835330572e-01 -2.835330572e-01 4.64 -2.700964162e-01 -2.700964162e-01 4.66 -2.567846911e-01 -2.567846911e-01 4.68 -2.435820994e-01 -2.435820994e-01 4.70 -2.304824988e-01 -2.304824988e-01 4.72 -2.174897851e-01 -2.174897851e-01 4.74 -2.046179465e-01 -2.046179465e-01 4.76 -1.918907104e-01 -1.918907104e-01 4.78 -1.793407386e-01 -1.793407386e-01 4.80 -1.670083560e-01 -1.670083560e-01 4.82 -1.549398501e-01 -1.549398501e-01 4.84 -1.431853889e-01 -1.431853889e-01 4.86 -1.317967093e-01 -1.317967093e-01 4.88 -1.208247008e-01 -1.208247008e-01 4.90 -1.103170634e-01 -1.103170634e-01 4.92 -1.003162063e-01 -1.003162063e-01 4.94 -9.085752691e-02 -9.085752691e-02 4.96 -8.196817064e-02 -8.196817064e-02 4.98 -7.366631929e-02 -7.366631929e-02 5.00 -6.596100129e-02 -6.596100129e-02 5.02 -5.885236809e-02 -5.885236809e-02 5.04 -5.233235604e-02 -5.233235604e-02 5.06 -4.638563264e-02 -4.638563264e-02 5.08 -4.099071712e-02 -4.099071712e-02 5.10 -3.612119180e-02 -3.612119180e-02 5.12 -3.174691728e-02 -3.174691728e-02 5.14 -2.783517904e-02 -2.783517904e-02 5.16 -2.435174741e-02 -2.435174741e-02 5.18 -2.126179835e-02 -2.126179835e-02 5.20 -1.853045097e-02 -1.853045097e-02 5.22 -1.612444140e-02 -1.612444140e-02 5.24 -1.401140268e-02 -1.401140268e-02 5.26 -1.216065690e-02 -1.216065690e-02 5.28 -1.054354269e-02 -1.054354269e-02 5.30 -9.133580432e-03 -9.133580432e-03 5.32 -7.906541179e-03 -7.906541179e-03 5.34 -6.840440961e-03 -6.840440961e-03 5.36 -5.915479316e-03 -5.915479316e-03 5.38 -5.113937658e-03 -5.113937658e-03 5.40 -4.420050601e-03 -4.420050601e-03 5.42 -3.819860856e-03 -3.819860856e-03 5.44 -3.301066142e-03 -3.301066142e-03 5.46 -2.852864612e-03 -2.852864612e-03 5.48 -2.465803607e-03 -2.465803607e-03 5.50 -2.131635150e-03 -2.131635150e-03 5.52 -1.843180428e-03 -1.843180428e-03 5.54 -1.594204596e-03 -1.594204596e-03 5.56 -1.379302520e-03 -1.379302520e-03 5.58 -1.193795557e-03 -1.193795557e-03 5.60 -1.033639096e-03 -1.033639096e-03 5.62 -8.953403218e-04 -8.953403218e-04 5.64 -7.758855009e-04 -7.758855009e-04 5.66 -6.726760271e-04 -6.726760271e-04 5.68 -5.834723962e-04 -5.834723962e-04 5.70 -5.063453124e-04 -5.063453124e-04 5.72 -4.396331455e-04 -4.396331455e-04 5.74 -3.819050095e-04 -3.819050095e-04 5.76 -3.319287879e-04 -3.319287879e-04 5.78 -2.886434934e-04 -2.886434934e-04 5.80 -2.511354096e-04 -2.511354096e-04 5.82 -2.186175212e-04 -2.186175212e-04 5.84 -1.904117991e-04 -1.904117991e-04 5.86 -1.659339529e-04 -1.659339529e-04 5.88 -1.446803187e-04 -1.446803187e-04 5.90 -1.262165845e-04 -1.262165845e-04 5.92 -1.101681024e-04 -1.101681024e-04 5.94 -9.621156292e-05 -9.621156292e-05 5.96 -8.406784281e-05 -8.406784281e-05 5.98 -7.349585996e-05 -7.349585996e-05 6.00 -6.428729374e-05 -6.428729374e-05