# 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 = NiPd # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan nan nan nan nan 0.90 nan nan nan nan nan nan nan nan 0.92 nan nan nan nan nan nan nan nan 0.94 nan nan nan nan nan nan nan nan 0.96 nan nan nan nan nan nan nan nan 0.98 nan nan nan nan nan nan nan nan 1.00 nan nan nan nan 2.576285926e+02 2.576285926e+02 nan nan 1.02 nan nan nan nan 2.353302670e+02 2.353302670e+02 nan nan 1.04 nan nan nan nan 2.150408118e+02 2.150408118e+02 nan nan 1.06 nan nan nan nan 1.965532792e+02 1.965532792e+02 nan nan 1.08 nan nan nan nan 1.796819708e+02 1.796819708e+02 nan nan 1.10 nan nan nan nan 1.642673816e+02 1.642673816e+02 nan nan 1.12 2.670687337e+02 2.670687337e+02 nan nan 1.501739824e+02 1.501739824e+02 nan nan 1.14 2.453290738e+02 2.453290738e+02 nan nan 1.372815358e+02 1.372815358e+02 nan nan 1.16 2.253932698e+02 2.253932698e+02 nan nan 1.254783548e+02 1.254783548e+02 nan nan 1.18 2.070927067e+02 2.070927067e+02 nan nan 1.146612207e+02 1.146612207e+02 nan nan 1.20 1.902731122e+02 1.902731122e+02 nan nan 1.047375982e+02 1.047375982e+02 nan nan 1.22 1.747967618e+02 1.747967618e+02 nan nan 9.562502066e+01 9.562502066e+01 nan nan 1.24 1.605438314e+02 1.605438314e+02 nan nan 8.724853729e+01 8.724853729e+01 nan nan 1.26 1.474114211e+02 1.474114211e+02 nan nan 7.953985768e+01 7.953985768e+01 nan nan 1.28 1.353095321e+02 1.353095321e+02 2.035777533e+02 2.035777533e+02 7.243855225e+01 7.243855225e+01 2.219827149e+02 2.219827149e+02 1.30 1.241558947e+02 1.241558947e+02 1.878491528e+02 1.878491528e+02 6.589294486e+01 6.589294486e+01 2.051684078e+02 2.051684078e+02 1.32 1.138726828e+02 1.138726828e+02 1.733009352e+02 1.733009352e+02 5.986861075e+01 5.986861075e+01 1.896025116e+02 1.896025116e+02 1.34 1.043864418e+02 1.043864418e+02 1.598418715e+02 1.598418715e+02 5.436826024e+01 5.436826024e+01 1.751839519e+02 1.751839519e+02 1.36 9.562975961e+01 9.562975961e+01 1.473884055e+02 1.473884055e+02 4.935183283e+01 4.935183283e+01 1.618234036e+02 1.618234036e+02 1.38 8.754191607e+01 8.754191607e+01 1.358617277e+02 1.358617277e+02 4.477435428e+01 4.477435428e+01 1.494399447e+02 1.494399447e+02 1.40 8.006758274e+01 8.006758274e+01 1.251871437e+02 1.251871437e+02 4.059336824e+01 4.059336824e+01 1.379584948e+02 1.379584948e+02 1.42 7.315517697e+01 7.315517697e+01 1.152949587e+02 1.152949587e+02 3.677053131e+01 3.677053131e+01 1.273090805e+02 1.273090805e+02 1.44 6.675657518e+01 6.675657518e+01 1.061217171e+02 1.061217171e+02 3.327250771e+01 3.327250771e+01 1.174271584e+02 1.174271584e+02 1.46 6.082821099e+01 6.082821099e+01 9.761100482e+01 9.761100482e+01 3.007081845e+01 3.007081845e+01 1.082537969e+02 1.082537969e+02 1.48 5.533231187e+01 5.533231187e+01 8.971325199e+01 8.971325199e+01 2.714089756e+01 2.714089756e+01 9.973535061e+01 9.973535061e+01 1.50 5.023766432e+01 5.023766432e+01 8.238449335e+01 8.238449335e+01 2.446089869e+01 2.446089869e+01 9.182273113e+01 9.182273113e+01 1.52 4.554736501e+01 4.554736501e+01 7.558453115e+01 7.558453115e+01 2.201069925e+01 2.201069925e+01 8.447053410e+01 8.447053410e+01 1.54 4.124805800e+01 4.124805800e+01 6.927518292e+01 6.927518292e+01 1.977127555e+01 1.977127555e+01 7.763638256e+01 7.763638256e+01 1.56 3.730878996e+01 3.730878996e+01 6.341927305e+01 6.341927305e+01 1.772441810e+01 1.772441810e+01 7.128072892e+01 7.128072892e+01 1.58 3.369926822e+01 3.369926822e+01 5.798060869e+01 5.798060869e+01 1.585271456e+01 1.585271456e+01 6.536703365e+01 6.536703365e+01 1.60 3.039050002e+01 3.039050002e+01 5.292470383e+01 5.292470383e+01 1.413980043e+01 1.413980043e+01 5.986200380e+01 5.986200380e+01 1.62 2.735567271e+01 2.735567271e+01 4.821981381e+01 4.821981381e+01 1.257083148e+01 1.257083148e+01 5.473562212e+01 5.473562212e+01 1.64 2.457080496e+01 2.457080496e+01 4.384368619e+01 4.384368619e+01 1.113289589e+01 1.113289589e+01 4.996086971e+01 4.996086971e+01 1.66 2.201489459e+01 2.201489459e+01 3.980102965e+01 3.980102965e+01 9.815022638e+00 9.815022638e+00 4.551386359e+01 4.551386359e+01 1.68 1.966956968e+01 1.966956968e+01 3.607097209e+01 3.607097209e+01 8.607762417e+00 8.607762417e+00 4.139765651e+01 4.139765651e+01 1.70 1.751849707e+01 1.751849707e+01 3.263065059e+01 3.263065059e+01 7.502642098e+00 7.502642098e+00 3.760080286e+01 3.760080286e+01 1.72 1.554682405e+01 1.554682405e+01 2.945890508e+01 2.945890508e+01 6.491787723e+00 6.491787723e+00 3.409914878e+01 3.409914878e+01 1.74 1.374079412e+01 1.374079412e+01 2.653580769e+01 2.653580769e+01 5.567792129e+00 5.567792129e+00 3.087029269e+01 3.087029269e+01 1.76 1.208753879e+01 1.208753879e+01 2.384266946e+01 2.384266946e+01 4.723726391e+00 4.723726391e+00 2.789345690e+01 2.789345690e+01 1.78 1.057497328e+01 1.057497328e+01 2.136227735e+01 2.136227735e+01 3.953170006e+00 3.953170006e+00 2.514929743e+01 2.514929743e+01 1.80 9.191730243e+00 9.191730243e+00 1.907901401e+01 1.907901401e+01 3.250211389e+00 3.250211389e+00 2.261975820e+01 2.261975820e+01 1.82 7.927125777e+00 7.927125777e+00 1.697869764e+01 1.697869764e+01 2.609430686e+00 2.609430686e+00 2.028801012e+01 2.028801012e+01 1.84 6.771195758e+00 6.771195758e+00 1.504824145e+01 1.504824145e+01 2.025871084e+00 2.025871084e+00 1.813847530e+01 1.813847530e+01 1.86 5.714811979e+00 5.714811979e+00 1.327531544e+01 1.327531544e+01 1.494983056e+00 1.494983056e+00 1.615689936e+01 1.615689936e+01 1.88 4.749806098e+00 4.749806098e+00 1.164812150e+01 1.164812150e+01 1.012541615e+00 1.012541615e+00 1.433038756e+01 1.433038756e+01 1.90 3.868991443e+00 3.868991443e+00 1.015532096e+01 1.015532096e+01 5.745712605e-01 5.745712605e-01 1.264733305e+01 1.264733305e+01 1.92 3.066035166e+00 3.066035166e+00 8.786111591e+00 8.786111591e+00 1.773187929e-01 1.773187929e-01 1.109724445e+01 1.109724445e+01 1.94 2.335233348e+00 2.335233348e+00 7.530395438e+00 7.530395438e+00 -1.827186966e-01 -1.827186966e-01 9.670544125e+00 9.670544125e+00 1.96 1.671285991e+00 1.671285991e+00 6.378936299e+00 6.378936299e+00 -5.087418759e-01 -5.087418759e-01 8.358406799e+00 8.358406799e+00 1.98 1.069143754e+00 1.069143754e+00 5.323422858e+00 5.323422858e+00 -8.036163398e-01 -8.036163398e-01 7.152660829e+00 7.152660829e+00 2.00 5.239482707e-01 5.239482707e-01 4.356418786e+00 4.356418786e+00 -1.069884259e+00 -1.069884259e+00 6.045729757e+00 6.045729757e+00 2.02 3.104884730e-02 3.104884730e-02 3.471238058e+00 3.471238058e+00 -1.309818123e+00 -1.309818123e+00 5.030578914e+00 5.030578914e+00 2.04 -4.139413569e-01 -4.139413569e-01 2.661801909e+00 2.661801909e+00 -1.525486365e+00 -1.525486365e+00 4.100649658e+00 4.100649658e+00 2.06 -8.150920260e-01 -8.150920260e-01 1.922519836e+00 1.922519836e+00 -1.718812602e+00 -1.718812602e+00 3.249789494e+00 3.249789494e+00 2.08 -1.176139187e+00 -1.176139187e+00 1.248211818e+00 1.248211818e+00 -1.891605985e+00 -1.891605985e+00 2.472198987e+00 2.472198987e+00 2.10 -1.500513785e+00 -1.500513785e+00 6.340681454e-01 6.340681454e-01 -2.045802005e+00 -2.045802005e+00 1.762409305e+00 1.762409305e+00 2.12 -1.791392096e+00 -1.791392096e+00 7.563237476e-02 7.563237476e-02 -2.183664246e+00 -2.183664246e+00 1.115285010e+00 1.115285010e+00 2.14 -2.051731512e+00 -2.051731512e+00 -4.312092056e-01 -4.312092056e-01 -2.306113947e+00 -2.306113947e+00 5.260318535e-01 5.260318535e-01 2.16 -2.284271133e+00 -2.284271133e+00 -8.902440032e-01 -8.902440032e-01 -2.413907324e+00 -2.413907324e+00 -9.808651677e-03 -9.808651677e-03 2.18 -2.491507110e+00 -2.491507110e+00 -1.304960128e+00 -1.304960128e+00 -2.507550583e+00 -2.507550583e+00 -4.963807935e-01 -4.963807935e-01 2.20 -2.675671759e+00 -2.675671759e+00 -1.678580859e+00 -1.678580859e+00 -2.587418417e+00 -2.587418417e+00 -9.375416991e-01 -9.375416991e-01 2.22 -2.838739062e+00 -2.838739062e+00 -2.014099029e+00 -2.014099029e+00 -2.653948197e+00 -2.653948197e+00 -1.336881231e+00 -1.336881231e+00 2.24 -2.982456763e+00 -2.982456763e+00 -2.314304586e+00 -2.314304586e+00 -2.707653869e+00 -2.707653869e+00 -1.697729188e+00 -1.697729188e+00 2.26 -3.108389234e+00 -3.108389234e+00 -2.581804319e+00 -2.581804319e+00 -2.749221754e+00 -2.749221754e+00 -2.023152966e+00 -2.023152966e+00 2.28 -3.217951401e+00 -3.217951401e+00 -2.819039756e+00 -2.819039756e+00 -2.779437827e+00 -2.779437827e+00 -2.315954313e+00 -2.315954313e+00 2.30 -3.312434141e+00 -3.312434141e+00 -3.028311726e+00 -3.028311726e+00 -2.799133638e+00 -2.799133638e+00 -2.578674215e+00 -2.578674215e+00 2.32 -3.393029069e+00 -3.393029069e+00 -3.211813589e+00 -3.211813589e+00 -2.809196061e+00 -2.809196061e+00 -2.813610424e+00 -2.813610424e+00 2.34 -3.460851273e+00 -3.460851273e+00 -3.371663557e+00 -3.371663557e+00 -2.810560486e+00 -2.810560486e+00 -3.022845559e+00 -3.022845559e+00 2.36 -3.517606092e+00 -3.517606092e+00 -3.509920219e+00 -3.509920219e+00 -2.804181207e+00 -2.804181207e+00 -3.208279219e+00 -3.208279219e+00 2.38 -3.564341408e+00 -3.564341408e+00 -3.628572097e+00 -3.628572097e+00 -2.790984531e+00 -2.790984531e+00 -3.371657307e+00 -3.371657307e+00 2.40 -3.601532401e+00 -3.601532401e+00 -3.729507645e+00 -3.729507645e+00 -2.771821991e+00 -2.771821991e+00 -3.514594761e+00 -3.514594761e+00 2.42 -3.629582988e+00 -3.629582988e+00 -3.814483719e+00 -3.814483719e+00 -2.747443245e+00 -2.747443245e+00 -3.638592002e+00 -3.638592002e+00 2.44 -3.648707792e+00 -3.648707792e+00 -3.885109277e+00 -3.885109277e+00 -2.718497667e+00 -2.718497667e+00 -3.745048628e+00 -3.745048628e+00 2.46 -3.659155991e+00 -3.659155991e+00 -3.942846873e+00 -3.942846873e+00 -2.685557805e+00 -2.685557805e+00 -3.835278584e+00 -3.835278584e+00 2.48 -3.661224500e+00 -3.661224500e+00 -3.989022309e+00 -3.989022309e+00 -2.649147716e+00 -2.649147716e+00 -3.910528932e+00 -3.910528932e+00 2.50 -3.655270014e+00 -3.655270014e+00 -4.024841784e+00 -4.024841784e+00 -2.609759874e+00 -2.609759874e+00 -3.971998233e+00 -3.971998233e+00 2.52 -3.641787155e+00 -3.641787155e+00 -4.051391668e+00 -4.051391668e+00 -2.567853397e+00 -2.567853397e+00 -4.020846669e+00 -4.020846669e+00 2.54 -3.621318715e+00 -3.621318715e+00 -4.070145484e+00 -4.070145484e+00 -2.523837507e+00 -2.523837507e+00 -4.058203968e+00 -4.058203968e+00 2.56 -3.594425987e+00 -3.594425987e+00 -4.082123524e+00 -4.082123524e+00 -2.478051391e+00 -2.478051391e+00 -4.085159359e+00 -4.085159359e+00 2.58 -3.561690918e+00 -3.561690918e+00 -4.087624189e+00 -4.087624189e+00 -2.430752154e+00 -2.430752154e+00 -4.102960347e+00 -4.102960347e+00 2.60 -3.523706345e+00 -3.523706345e+00 -4.086827761e+00 -4.086827761e+00 -2.382117371e+00 -2.382117371e+00 -4.113181252e+00 -4.113181252e+00 2.62 -3.481056775e+00 -3.481056775e+00 -4.079667742e+00 -4.079667742e+00 -2.332262072e+00 -2.332262072e+00 -4.116349500e+00 -4.116349500e+00 2.64 -3.434296438e+00 -3.434296438e+00 -4.066111720e+00 -4.066111720e+00 -2.281265410e+00 -2.281265410e+00 -4.112890720e+00 -4.112890720e+00 2.66 -3.383932934e+00 -3.383932934e+00 -4.046214015e+00 -4.046214015e+00 -2.229200856e+00 -2.229200856e+00 -4.103009315e+00 -4.103009315e+00 2.68 -3.330422246e+00 -3.330422246e+00 -4.020113993e+00 -4.020113993e+00 -2.176164270e+00 -2.176164270e+00 -4.086884597e+00 -4.086884597e+00 2.70 -3.274175494e+00 -3.274175494e+00 -3.988072817e+00 -3.988072817e+00 -2.122295039e+00 -2.122295039e+00 -4.064779169e+00 -4.064779169e+00 2.72 -3.215572691e+00 -3.215572691e+00 -3.950494513e+00 -3.950494513e+00 -2.067786125e+00 -2.067786125e+00 -4.037019262e+00 -4.037019262e+00 2.74 -3.154976439e+00 -3.154976439e+00 -3.907832954e+00 -3.907832954e+00 -2.012880223e+00 -2.012880223e+00 -4.003995538e+00 -4.003995538e+00 2.76 -3.092739647e+00 -3.092739647e+00 -3.860569459e+00 -3.860569459e+00 -1.957852199e+00 -1.957852199e+00 -3.966201490e+00 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-3.605769461e+00 2.92 -2.570651353e+00 -2.570651353e+00 -3.372178770e+00 -3.372178770e+00 -1.540194526e+00 -1.540194526e+00 -3.544806154e+00 -3.544806154e+00 2.94 -2.505171240e+00 -2.505171240e+00 -3.303477569e+00 -3.303477569e+00 -1.493020573e+00 -1.493020573e+00 -3.482244178e+00 -3.482244178e+00 2.96 -2.439927406e+00 -2.439927406e+00 -3.234293156e+00 -3.234293156e+00 -1.447346912e+00 -1.447346912e+00 -3.418274428e+00 -3.418274428e+00 2.98 -2.374938935e+00 -2.374938935e+00 -3.164927104e+00 -3.164927104e+00 -1.403255340e+00 -1.403255340e+00 -3.353079147e+00 -3.353079147e+00 3.00 -2.310215915e+00 -2.310215915e+00 -3.095634982e+00 -3.095634982e+00 -1.360791589e+00 -1.360791589e+00 -3.286838228e+00 -3.286838228e+00 3.02 -2.245765568e+00 -2.245765568e+00 -3.026620800e+00 -3.026620800e+00 -1.319959215e+00 -1.319959215e+00 -3.219733056e+00 -3.219733056e+00 3.04 -2.181598905e+00 -2.181598905e+00 -2.958037928e+00 -2.958037928e+00 -1.280721024e+00 -1.280721024e+00 -3.151947563e+00 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