# 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 = CuPdW2 # 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 3.441260197e+02 3.441260197e+02 1.30 3.179839815e+02 3.179839815e+02 1.32 2.938517260e+02 2.938517260e+02 1.34 2.715595031e+02 2.715595031e+02 1.36 2.509505847e+02 2.509505847e+02 1.38 2.318810471e+02 2.318810471e+02 1.40 2.142208547e+02 2.142208547e+02 1.42 1.978544206e+02 1.978544206e+02 1.44 1.826796849e+02 1.826796849e+02 1.46 1.686058666e+02 1.686058666e+02 1.48 1.555508403e+02 1.555508403e+02 1.50 1.434391879e+02 1.434391879e+02 1.52 1.322013063e+02 1.322013063e+02 1.54 1.217731237e+02 1.217731237e+02 1.56 1.120957747e+02 1.120957747e+02 1.58 1.031150377e+02 1.031150377e+02 1.60 9.478077148e+01 9.478077148e+01 1.62 8.704655217e+01 8.704655217e+01 1.64 7.986944163e+01 7.986944163e+01 1.66 7.320972233e+01 7.320972233e+01 1.68 6.703055518e+01 6.703055518e+01 1.70 6.129761962e+01 6.129761962e+01 1.72 5.597878838e+01 5.597878838e+01 1.74 5.104387894e+01 5.104387894e+01 1.76 4.646454819e+01 4.646454819e+01 1.78 4.221437116e+01 4.221437116e+01 1.80 3.826956071e+01 3.826956071e+01 1.82 3.460907737e+01 3.460907737e+01 1.84 3.121296567e+01 3.121296567e+01 1.86 2.806314082e+01 2.806314082e+01 1.88 2.515216047e+01 2.515216047e+01 1.90 2.247300646e+01 2.247300646e+01 1.92 2.000832770e+01 2.000832770e+01 1.94 1.774212689e+01 1.774212689e+01 1.96 1.565966620e+01 1.565966620e+01 1.98 1.374733894e+01 1.374733894e+01 2.00 1.199250844e+01 1.199250844e+01 2.02 1.038333508e+01 1.038333508e+01 2.04 8.908614884e+00 8.908614884e+00 2.06 7.557651566e+00 7.557651566e+00 2.08 6.320182342e+00 6.320182342e+00 2.10 5.186373210e+00 5.186373210e+00 2.12 4.146887323e+00 4.146887323e+00 2.14 3.193009283e+00 3.193009283e+00 2.16 2.316787282e+00 2.316787282e+00 2.18 1.511145635e+00 1.511145635e+00 2.20 7.699291452e-01 7.699291452e-01 2.22 8.786400043e-02 8.786400043e-02 2.24 -5.395536402e-01 -5.395536402e-01 2.26 -1.116211641e+00 -1.116211641e+00 2.28 -1.645543014e+00 -1.645543014e+00 2.30 -2.130664128e+00 -2.130664128e+00 2.32 -2.574471880e+00 -2.574471880e+00 2.34 -2.979695854e+00 -2.979695854e+00 2.36 -3.348914660e+00 -3.348914660e+00 2.38 -3.684541922e+00 -3.684541922e+00 2.40 -3.988667014e+00 -3.988667014e+00 2.42 -4.263521636e+00 -4.263521636e+00 2.44 -4.511274385e+00 -4.511274385e+00 2.46 -4.733930397e+00 -4.733930397e+00 2.48 -4.933350145e+00 -4.933350145e+00 2.50 -5.111255483e+00 -5.111255483e+00 2.52 -5.269223790e+00 -5.269223790e+00 2.54 -5.408608162e+00 -5.408608162e+00 2.56 -5.530121774e+00 -5.530121774e+00 2.58 -5.634230847e+00 -5.634230847e+00 2.60 -5.721409325e+00 -5.721409325e+00 2.62 -5.792133403e+00 -5.792133403e+00 2.64 -5.846885214e+00 -5.846885214e+00 2.66 -5.886161261e+00 -5.886161261e+00 2.68 -5.910480704e+00 -5.910480704e+00 2.70 -5.920390006e+00 -5.920390006e+00 2.72 -5.916462248e+00 -5.916462248e+00 2.74 -5.899291490e+00 -5.899291490e+00 2.76 -5.869484519e+00 -5.869484519e+00 2.78 -5.827653608e+00 -5.827653608e+00 2.80 -5.774413910e+00 -5.774413910e+00 2.82 -5.710387908e+00 -5.710387908e+00 2.84 -5.636217319e+00 -5.636217319e+00 2.86 -5.552580815e+00 -5.552580815e+00 2.88 -5.460214360e+00 -5.460214360e+00 2.90 -5.360045068e+00 -5.360045068e+00 2.92 -5.253334680e+00 -5.253334680e+00 2.94 -5.141039275e+00 -5.141039275e+00 2.96 -5.023878345e+00 -5.023878345e+00 2.98 -4.902683985e+00 -4.902683985e+00 3.00 -4.778370753e+00 -4.778370753e+00 3.02 -4.651882431e+00 -4.651882431e+00 3.04 -4.524135645e+00 -4.524135645e+00 3.06 -4.395975644e+00 -4.395975644e+00 3.08 -4.268169478e+00 -4.268169478e+00 3.10 -4.141356674e+00 -4.141356674e+00 3.12 -4.015999057e+00 -4.015999057e+00 3.14 -3.892368269e+00 -3.892368269e+00 3.16 -3.770560112e+00 -3.770560112e+00 3.18 -3.650519623e+00 -3.650519623e+00 3.20 -3.532073198e+00 -3.532073198e+00 3.22 -3.414964350e+00 -3.414964350e+00 3.24 -3.298890295e+00 -3.298890295e+00 3.26 -3.183537278e+00 -3.183537278e+00 3.28 -3.068613227e+00 -3.068613227e+00 3.30 -2.953876753e+00 -2.953876753e+00 3.32 -2.839161725e+00 -2.839161725e+00 3.34 -2.724396679e+00 -2.724396679e+00 3.36 -2.609618253e+00 -2.609618253e+00 3.38 -2.494977819e+00 -2.494977819e+00 3.40 -2.380740639e+00 -2.380740639e+00 3.42 -2.267277136e+00 -2.267277136e+00 3.44 -2.155046461e+00 -2.155046461e+00 3.46 -2.044573212e+00 -2.044573212e+00 3.48 -1.936418936e+00 -1.936418936e+00 3.50 -1.831150744e+00 -1.831150744e+00 3.52 -1.729309784e+00 -1.729309784e+00 3.54 -1.631382416e+00 -1.631382416e+00 3.56 -1.537776581e+00 -1.537776581e+00 3.58 -1.448805158e+00 -1.448805158e+00 3.60 -1.364677190e+00 -1.364677190e+00 3.62 -1.285496879e+00 -1.285496879e+00 3.64 -1.211269443e+00 -1.211269443e+00 3.66 -1.141912306e+00 -1.141912306e+00 3.68 -1.077269848e+00 -1.077269848e+00 3.70 -1.017129912e+00 -1.017129912e+00 3.72 -9.612404890e-01 -9.612404890e-01 3.74 -9.093253008e-01 -9.093253008e-01 3.76 -8.610974075e-01 -8.610974075e-01 3.78 -8.162702915e-01 -8.162702915e-01 3.80 -7.745662000e-01 -7.745662000e-01 3.82 -7.357217893e-01 -7.357217893e-01 3.84 -6.994913258e-01 -6.994913258e-01 3.86 -6.656478644e-01 -6.656478644e-01 3.88 -6.339829302e-01 -6.339829302e-01 3.90 -6.043052735e-01 -6.043052735e-01 3.92 -5.764392288e-01 -5.764392288e-01 3.94 -5.502231112e-01 -5.502231112e-01 3.96 -5.255079269e-01 -5.255079269e-01 3.98 -5.021565193e-01 -5.021565193e-01 4.00 -4.800431190e-01 -4.800431190e-01 4.02 -4.590531703e-01 -4.590531703e-01 4.04 -4.390832555e-01 -4.390832555e-01 4.06 -4.200409282e-01 -4.200409282e-01 4.08 -4.018443433e-01 -4.018443433e-01 4.10 -3.844215797e-01 -3.844215797e-01 4.12 -3.677096287e-01 -3.677096287e-01 4.14 -3.516531296e-01 -3.516531296e-01 4.16 -3.362029396e-01 -3.362029396e-01 4.18 -3.213147826e-01 -3.213147826e-01 4.20 -3.069483228e-01 -3.069483228e-01 4.22 -2.930660719e-01 -2.930660719e-01 4.24 -2.796329877e-01 -2.796329877e-01 4.26 -2.666165172e-01 -2.666165172e-01 4.28 -2.539870132e-01 -2.539870132e-01 4.30 -2.417184145e-01 -2.417184145e-01 4.32 -2.297890318e-01 -2.297890318e-01 4.34 -2.181822495e-01 -2.181822495e-01 4.36 -2.068868392e-01 -2.068868392e-01 4.38 -1.958975568e-01 -1.958975568e-01 4.40 -1.852144991e-01 -1.852144991e-01 4.42 -1.748421898e-01 -1.748421898e-01 4.44 -1.647883726e-01 -1.647883726e-01 4.46 -1.550624977e-01 -1.550624977e-01 4.48 -1.456740864e-01 -1.456740864e-01 4.50 -1.366311815e-01 -1.366311815e-01 4.52 -1.279390810e-01 -1.279390810e-01 4.54 -1.195995094e-01 -1.195995094e-01 4.56 -1.116103117e-01 -1.116103117e-01 4.58 -1.039656759e-01 -1.039656759e-01 4.60 -9.665681500e-02 -9.665681500e-02 4.62 -8.967298236e-02 -8.967298236e-02 4.64 -8.300265892e-02 -8.300265892e-02 4.66 -7.663474570e-02 -7.663474570e-02 4.68 -7.055960745e-02 -7.055960745e-02 4.70 -6.476984552e-02 -6.476984552e-02 4.72 -5.926072029e-02 -5.926072029e-02 4.74 -5.403019086e-02 -5.403019086e-02 4.76 -4.907858745e-02 -4.907858745e-02 4.78 -4.440797562e-02 -4.440797562e-02 4.80 -4.002130474e-02 -4.002130474e-02 4.82 -3.592145571e-02 -3.592145571e-02 4.84 -3.211030397e-02 -3.211030397e-02 4.86 -2.858790606e-02 -2.858790606e-02 4.88 -2.535189189e-02 -2.535189189e-02 4.90 -2.239710889e-02 -2.239710889e-02 4.92 -1.971552762e-02 -1.971552762e-02 4.94 -1.729632823e-02 -1.729632823e-02 4.96 -1.512600104e-02 -1.512600104e-02 4.98 -1.318967874e-02 -1.318967874e-02 5.00 -1.147110998e-02 -1.147110998e-02 5.02 -9.953114942e-03 -9.953114942e-03 5.04 -8.618143109e-03 -8.618143109e-03 5.06 -7.448757966e-03 -7.448757966e-03 5.08 -6.428032355e-03 -6.428032355e-03 5.10 -5.539850024e-03 -5.539850024e-03 5.12 -4.769117572e-03 -4.769117572e-03 5.14 -4.101896635e-03 -4.101896635e-03 5.16 -3.525469073e-03 -3.525469073e-03 5.18 -3.028348837e-03 -3.028348837e-03 5.20 -2.600253597e-03 -2.600253597e-03 5.22 -2.232047828e-03 -2.232047828e-03 5.24 -1.915667199e-03 -1.915667199e-03 5.26 -1.644032201e-03 -1.644032201e-03 5.28 -1.410957109e-03 -1.410957109e-03 5.30 -1.211058780e-03 -1.211058780e-03 5.32 -1.039668417e-03 -1.039668417e-03 5.34 -8.927483832e-04 -8.927483832e-04 5.36 -7.668152826e-04 -7.668152826e-04 5.38 -6.588699138e-04 -6.588699138e-04 5.40 -5.663342555e-04 -5.663342555e-04 5.42 -4.869953332e-04 -4.869953332e-04 5.44 -4.189556130e-04 -4.189556130e-04 5.46 -3.605894541e-04 -3.605894541e-04 5.48 -3.105050853e-04 -3.105050853e-04 5.50 -2.675115563e-04 -2.675115563e-04 5.52 -2.305901179e-04 -2.305901179e-04 5.54 -1.988695168e-04 -1.988695168e-04 5.56 -1.716047220e-04 -1.716047220e-04 5.58 -1.481586459e-04 -1.481586459e-04 5.60 -1.279864651e-04 -1.279864651e-04 5.62 -1.106221912e-04 -1.106221912e-04 5.64 -9.566718006e-05 -9.566718006e-05 5.66 -8.278030938e-05 -8.278030938e-05 5.68 -7.166958849e-05 -7.166958849e-05 5.70 -6.208499418e-05 -6.208499418e-05 5.72 -5.381235638e-05 -5.381235638e-05 5.74 -4.666814081e-05 -4.666814081e-05 5.76 -4.049499748e-05 -4.049499748e-05 5.78 -3.515796281e-05 -3.515796281e-05 5.80 -3.054121921e-05 -3.054121921e-05 5.82 -2.654532982e-05 -2.654532982e-05 5.84 -2.308487840e-05 -2.308487840e-05 5.86 -2.008645446e-05 -2.008645446e-05 5.88 -1.748693251e-05 -1.748693251e-05 5.90 -1.523200225e-05 -1.523200225e-05 5.92 -1.327491236e-05 -1.327491236e-05 5.94 -1.157539659e-05 -1.157539659e-05 5.96 -1.009875533e-05 -1.009875533e-05 5.98 -8.815069590e-06 -8.815069590e-06 6.00 -7.698528301e-06 -7.698528301e-06