# 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 = PbWZr2 # 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 5.031413407e+02 5.031413407e+02 1.30 4.693186221e+02 4.693186221e+02 1.32 4.378733775e+02 4.378733775e+02 1.34 4.086299278e+02 4.086299278e+02 1.36 3.814284342e+02 3.814284342e+02 1.38 3.561205546e+02 3.561205546e+02 1.40 3.325663692e+02 3.325663692e+02 1.42 3.106333387e+02 3.106333387e+02 1.44 2.901967637e+02 2.901967637e+02 1.46 2.711404703e+02 2.711404703e+02 1.48 2.533572505e+02 2.533572505e+02 1.50 2.367492314e+02 2.367492314e+02 1.52 2.212281418e+02 2.212281418e+02 1.54 2.067149508e+02 2.067149508e+02 1.56 1.931389587e+02 1.931389587e+02 1.58 1.804365220e+02 1.804365220e+02 1.60 1.685497717e+02 1.685497717e+02 1.62 1.574254645e+02 1.574254645e+02 1.64 1.470141902e+02 1.470141902e+02 1.66 1.372698558e+02 1.372698558e+02 1.68 1.281494077e+02 1.281494077e+02 1.70 1.196126903e+02 1.196126903e+02 1.72 1.116221914e+02 1.116221914e+02 1.74 1.041427134e+02 1.041427134e+02 1.76 9.714103992e+01 9.714103992e+01 1.78 9.058572024e+01 9.058572024e+01 1.80 8.444697577e+01 8.444697577e+01 1.82 7.869670342e+01 7.869670342e+01 1.84 7.330854042e+01 7.330854042e+01 1.86 6.825800053e+01 6.825800053e+01 1.88 6.352251983e+01 6.352251983e+01 1.90 5.908136779e+01 5.908136779e+01 1.92 5.491545588e+01 5.491545588e+01 1.94 5.100707675e+01 5.100707675e+01 1.96 4.733971242e+01 4.733971242e+01 1.98 4.389790557e+01 4.389790557e+01 2.00 4.066737080e+01 4.066737080e+01 2.02 3.763577237e+01 3.763577237e+01 2.04 3.479056636e+01 3.479056636e+01 2.06 3.212232153e+01 3.212232153e+01 2.08 2.962247733e+01 2.962247733e+01 2.10 2.727990380e+01 2.727990380e+01 2.12 2.508414968e+01 2.508414968e+01 2.14 2.302546293e+01 2.302546293e+01 2.16 2.109481062e+01 2.109481062e+01 2.18 1.928387854e+01 1.928387854e+01 2.20 1.758505755e+01 1.758505755e+01 2.22 1.599138348e+01 1.599138348e+01 2.24 1.449646951e+01 1.449646951e+01 2.26 1.309444184e+01 1.309444184e+01 2.28 1.177986679e+01 1.177986679e+01 2.30 1.054772498e+01 1.054772498e+01 2.32 9.393333244e+00 9.393333244e+00 2.34 8.312299438e+00 8.312299438e+00 2.36 7.300461921e+00 7.300461921e+00 2.38 6.353848316e+00 6.353848316e+00 2.40 5.468648845e+00 5.468648845e+00 2.42 4.641198191e+00 4.641198191e+00 2.44 3.867981039e+00 3.867981039e+00 2.46 3.145635858e+00 3.145635858e+00 2.48 2.470973585e+00 2.470973585e+00 2.50 1.840996980e+00 1.840996980e+00 2.52 1.252914326e+00 1.252914326e+00 2.54 7.041421987e-01 7.041421987e-01 2.56 1.922972151e-01 1.922972151e-01 2.58 -2.848199053e-01 -2.848199053e-01 2.60 -7.292444234e-01 -7.292444234e-01 2.62 -1.142867595e+00 -1.142867595e+00 2.64 -1.527465884e+00 -1.527465884e+00 2.66 -1.884708646e+00 -1.884708646e+00 2.68 -2.216183208e+00 -2.216183208e+00 2.70 -2.523404132e+00 -2.523404132e+00 2.72 -2.807819419e+00 -2.807819419e+00 2.74 -3.070811095e+00 -3.070811095e+00 2.76 -3.313689668e+00 -3.313689668e+00 2.78 -3.537632267e+00 -3.537632267e+00 2.80 -3.743799735e+00 -3.743799735e+00 2.82 -3.933289279e+00 -3.933289279e+00 2.84 -4.107113703e+00 -4.107113703e+00 2.86 -4.266273165e+00 -4.266273165e+00 2.88 -4.411484054e+00 -4.411484054e+00 2.90 -4.543357176e+00 -4.543357176e+00 2.92 -4.662449383e+00 -4.662449383e+00 2.94 -4.769272030e+00 -4.769272030e+00 2.96 -4.864298083e+00 -4.864298083e+00 2.98 -4.947890645e+00 -4.947890645e+00 3.00 -5.020319857e+00 -5.020319857e+00 3.02 -5.081834619e+00 -5.081834619e+00 3.04 -5.132499424e+00 -5.132499424e+00 3.06 -5.172401889e+00 -5.172401889e+00 3.08 -5.201700115e+00 -5.201700115e+00 3.10 -5.220632055e+00 -5.220632055e+00 3.12 -5.229498247e+00 -5.229498247e+00 3.14 -5.228665685e+00 -5.228665685e+00 3.16 -5.218537137e+00 -5.218537137e+00 3.18 -5.199556398e+00 -5.199556398e+00 3.20 -5.172194818e+00 -5.172194818e+00 3.22 -5.136942999e+00 -5.136942999e+00 3.24 -5.094304584e+00 -5.094304584e+00 3.26 -5.044792646e+00 -5.044792646e+00 3.28 -4.988928282e+00 -4.988928282e+00 3.30 -4.927240144e+00 -4.927240144e+00 3.32 -4.860263368e+00 -4.860263368e+00 3.34 -4.788537017e+00 -4.788537017e+00 3.36 -4.712600246e+00 -4.712600246e+00 3.38 -4.632988302e+00 -4.632988302e+00 3.40 -4.550227984e+00 -4.550227984e+00 3.42 -4.464842871e+00 -4.464842871e+00 3.44 -4.377342251e+00 -4.377342251e+00 3.46 -4.288227708e+00 -4.288227708e+00 3.48 -4.197988592e+00 -4.197988592e+00 3.50 -4.107097101e+00 -4.107097101e+00 3.52 -4.016001158e+00 -4.016001158e+00 3.54 -3.925115944e+00 -3.925115944e+00 3.56 -3.834815404e+00 -3.834815404e+00 3.58 -3.745425028e+00 -3.745425028e+00 3.60 -3.657216956e+00 -3.657216956e+00 3.62 -3.570407994e+00 -3.570407994e+00 3.64 -3.485160643e+00 -3.485160643e+00 3.66 -3.401605963e+00 -3.401605963e+00 3.68 -3.319814817e+00 -3.319814817e+00 3.70 -3.239798364e+00 -3.239798364e+00 3.72 -3.161543422e+00 -3.161543422e+00 3.74 -3.085020767e+00 -3.085020767e+00 3.76 -3.010193250e+00 -3.010193250e+00 3.78 -2.937023185e+00 -2.937023185e+00 3.80 -2.865478500e+00 -2.865478500e+00 3.82 -2.795537147e+00 -2.795537147e+00 3.84 -2.727189328e+00 -2.727189328e+00 3.86 -2.660436389e+00 -2.660436389e+00 3.88 -2.595284860e+00 -2.595284860e+00 3.90 -2.531744960e+00 -2.531744960e+00 3.92 -2.469823045e+00 -2.469823045e+00 3.94 -2.409531748e+00 -2.409531748e+00 3.96 -2.350859530e+00 -2.350859530e+00 3.98 -2.293785835e+00 -2.293785835e+00 4.00 -2.238275616e+00 -2.238275616e+00 4.02 -2.184280680e+00 -2.184280680e+00 4.04 -2.131742479e+00 -2.131742479e+00 4.06 -2.080595600e+00 -2.080595600e+00 4.08 -2.030771315e+00 -2.030771315e+00 4.10 -1.982191494e+00 -1.982191494e+00 4.12 -1.934809590e+00 -1.934809590e+00 4.14 -1.888551644e+00 -1.888551644e+00 4.16 -1.843359960e+00 -1.843359960e+00 4.18 -1.799182255e+00 -1.799182255e+00 4.20 -1.755971701e+00 -1.755971701e+00 4.22 -1.713686700e+00 -1.713686700e+00 4.24 -1.672290503e+00 -1.672290503e+00 4.26 -1.631750750e+00 -1.631750750e+00 4.28 -1.592038998e+00 -1.592038998e+00 4.30 -1.553130276e+00 -1.553130276e+00 4.32 -1.515002674e+00 -1.515002674e+00 4.34 -1.477636988e+00 -1.477636988e+00 4.36 -1.441016392e+00 -1.441016392e+00 4.38 -1.405126159e+00 -1.405126159e+00 4.40 -1.369953397e+00 -1.369953397e+00 4.42 -1.335486803e+00 -1.335486803e+00 4.44 -1.301716424e+00 -1.301716424e+00 4.46 -1.268633426e+00 -1.268633426e+00 4.48 -1.236229867e+00 -1.236229867e+00 4.50 -1.204498472e+00 -1.204498472e+00 4.52 -1.173432423e+00 -1.173432423e+00 4.54 -1.143025166e+00 -1.143025166e+00 4.56 -1.113270227e+00 -1.113270227e+00 4.58 -1.084161058e+00 -1.084161058e+00 4.60 -1.055690913e+00 -1.055690913e+00 4.62 -1.027852739e+00 -1.027852739e+00 4.64 -1.000639099e+00 -1.000639099e+00 4.66 -9.740421294e-01 -9.740421294e-01 4.68 -9.480535042e-01 -9.480535042e-01 4.70 -9.226644322e-01 -9.226644322e-01 4.72 -8.978656640e-01 -8.978656640e-01 4.74 -8.736475130e-01 -8.736475130e-01 4.76 -8.499998845e-01 -8.499998845e-01 4.78 -8.269123080e-01 -8.269123080e-01 4.80 -8.043672727e-01 -8.043672727e-01 4.82 -7.823681847e-01 -7.823681847e-01 4.84 -7.608956314e-01 -7.608956314e-01 4.86 -7.399380020e-01 -7.399380020e-01 4.88 -7.194834548e-01 -7.194834548e-01 4.90 -6.995199388e-01 -6.995199388e-01 4.92 -6.800352156e-01 -6.800352156e-01 4.94 -6.610168796e-01 -6.610168796e-01 4.96 -6.424523817e-01 -6.424523817e-01 4.98 -6.243290558e-01 -6.243290558e-01 5.00 -6.066341507e-01 -6.066341507e-01 5.02 -5.893548694e-01 -5.893548694e-01 5.04 -5.724784159e-01 -5.724784159e-01 5.06 -5.559920518e-01 -5.559920518e-01 5.08 -5.398831613e-01 -5.398831613e-01 5.10 -5.241393269e-01 -5.241393269e-01 5.12 -5.087484137e-01 -5.087484137e-01 5.14 -4.936986627e-01 -4.936986627e-01 5.16 -4.789787930e-01 -4.789787930e-01 5.18 -4.645781105e-01 -4.645781105e-01 5.20 -4.504866239e-01 -4.504866239e-01 5.22 -4.366951672e-01 -4.366951672e-01 5.24 -4.231955280e-01 -4.231955280e-01 5.26 -4.099805798e-01 -4.099805798e-01 5.28 -3.970444179e-01 -3.970444179e-01 5.30 -3.843824934e-01 -3.843824934e-01 5.32 -3.719917384e-01 -3.719917384e-01 5.34 -3.598706702e-01 -3.598706702e-01 5.36 -3.480194596e-01 -3.480194596e-01 5.38 -3.364399422e-01 -3.364399422e-01 5.40 -3.251355509e-01 -3.251355509e-01 5.42 -3.141111511e-01 -3.141111511e-01 5.44 -3.033727624e-01 -3.033727624e-01 5.46 -2.929271672e-01 -2.929271672e-01 5.48 -2.827814144e-01 -2.827814144e-01 5.50 -2.729422497e-01 -2.729422497e-01 5.52 -2.634155131e-01 -2.634155131e-01 5.54 -2.542055543e-01 -2.542055543e-01 5.56 -2.453147220e-01 -2.453147220e-01 5.58 -2.367429717e-01 -2.367429717e-01 5.60 -2.284876251e-01 -2.284876251e-01 5.62 -2.205432973e-01 -2.205432973e-01 5.64 -2.129019839e-01 -2.129019839e-01 5.66 -2.055532894e-01 -2.055532894e-01 5.68 -1.984847601e-01 -1.984847601e-01 5.70 -1.916822853e-01 -1.916822853e-01 5.72 -1.851305263e-01 -1.851305263e-01 5.74 -1.788133405e-01 -1.788133405e-01 5.76 -1.727141752e-01 -1.727141752e-01 5.78 -1.668164133e-01 -1.668164133e-01 5.80 -1.611036642e-01 -1.611036642e-01 5.82 -1.555599970e-01 -1.555599970e-01 5.84 -1.501701202e-01 -1.501701202e-01 5.86 -1.449195139e-01 -1.449195139e-01 5.88 -1.397945248e-01 -1.397945248e-01 5.90 -1.347824306e-01 -1.347824306e-01 5.92 -1.298714839e-01 -1.298714839e-01 5.94 -1.250509428e-01 -1.250509428e-01 5.96 -1.203110923e-01 -1.203110923e-01 5.98 -1.156431645e-01 -1.156431645e-01 6.00 -1.110395374e-01 -1.110395374e-01