# 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 = AgFePd2 # 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 2.759172430e+02 2.759172430e+02 1.30 2.546378648e+02 2.546378648e+02 1.32 2.349839554e+02 2.349839554e+02 1.34 2.168259392e+02 2.168259392e+02 1.36 2.000445660e+02 2.000445660e+02 1.38 1.845289636e+02 1.845289636e+02 1.40 1.701759301e+02 1.701759301e+02 1.42 1.568901379e+02 1.568901379e+02 1.44 1.445848378e+02 1.445848378e+02 1.46 1.331823452e+02 1.331823452e+02 1.48 1.226134587e+02 1.226134587e+02 1.50 1.128157633e+02 1.128157633e+02 1.52 1.037316633e+02 1.037316633e+02 1.54 9.530702184e+01 9.530702184e+01 1.56 8.749064352e+01 8.749064352e+01 1.58 8.023433551e+01 8.023433551e+01 1.60 7.349326287e+01 7.349326287e+01 1.62 6.722643452e+01 6.722643452e+01 1.64 6.139711490e+01 6.139711490e+01 1.66 5.599045465e+01 5.599045465e+01 1.68 5.100386998e+01 5.100386998e+01 1.70 4.640794729e+01 4.640794729e+01 1.72 4.217506464e+01 4.217506464e+01 1.74 3.827901901e+01 3.827901901e+01 1.76 3.469469781e+01 3.469469781e+01 1.78 3.139813943e+01 3.139813943e+01 1.80 2.836677356e+01 2.836677356e+01 1.82 2.557963162e+01 2.557963162e+01 1.84 2.301740201e+01 2.301740201e+01 1.86 2.066231481e+01 2.066231481e+01 1.88 1.849793651e+01 1.849793651e+01 1.90 1.650899520e+01 1.650899520e+01 1.92 1.468131236e+01 1.468131236e+01 1.94 1.300182370e+01 1.300182370e+01 1.96 1.145860659e+01 1.145860659e+01 1.98 1.004084387e+01 1.004084387e+01 2.00 8.738714365e+00 8.738714365e+00 2.02 7.543250581e+00 7.543250581e+00 2.04 6.446211814e+00 6.446211814e+00 2.06 5.439997250e+00 5.439997250e+00 2.08 4.517595443e+00 4.517595443e+00 2.10 3.672552714e+00 3.672552714e+00 2.12 2.898944658e+00 2.898944658e+00 2.14 2.191343048e+00 2.191343048e+00 2.16 1.544777695e+00 1.544777695e+00 2.18 9.546967707e-01 9.546967707e-01 2.20 4.169295499e-01 4.169295499e-01 2.22 -7.234647732e-02 -7.234647732e-02 2.24 -5.166348039e-01 -5.166348039e-01 2.26 -9.191476255e-01 -9.191476255e-01 2.28 -1.282834348e+00 -1.282834348e+00 2.30 -1.610412313e+00 -1.610412313e+00 2.32 -1.904399999e+00 -1.904399999e+00 2.34 -2.167151441e+00 -2.167151441e+00 2.36 -2.400889221e+00 -2.400889221e+00 2.38 -2.607732569e+00 -2.607732569e+00 2.40 -2.789717850e+00 -2.789717850e+00 2.42 -2.948810701e+00 -2.948810701e+00 2.44 -3.086911060e+00 -3.086911060e+00 2.46 -3.205852460e+00 -3.205852460e+00 2.48 -3.307395255e+00 -3.307395255e+00 2.50 -3.393212297e+00 -3.393212297e+00 2.52 -3.464867607e+00 -3.464867607e+00 2.54 -3.523997231e+00 -3.523997231e+00 2.56 -3.572537108e+00 -3.572537108e+00 2.58 -3.611260683e+00 -3.611260683e+00 2.60 -3.640783811e+00 -3.640783811e+00 2.62 -3.661678253e+00 -3.661678253e+00 2.64 -3.674475594e+00 -3.674475594e+00 2.66 -3.679676821e+00 -3.679676821e+00 2.68 -3.677752153e+00 -3.677752153e+00 2.70 -3.669184153e+00 -3.669184153e+00 2.72 -3.654500061e+00 -3.654500061e+00 2.74 -3.634274478e+00 -3.634274478e+00 2.76 -3.608906590e+00 -3.608906590e+00 2.78 -3.578560656e+00 -3.578560656e+00 2.80 -3.543382721e+00 -3.543382721e+00 2.82 -3.503564182e+00 -3.503564182e+00 2.84 -3.459348447e+00 -3.459348447e+00 2.86 -3.411034522e+00 -3.411034522e+00 2.88 -3.358980201e+00 -3.358980201e+00 2.90 -3.303601362e+00 -3.303601362e+00 2.92 -3.245346506e+00 -3.245346506e+00 2.94 -3.184675626e+00 -3.184675626e+00 2.96 -3.122038494e+00 -3.122038494e+00 2.98 -3.057854023e+00 -3.057854023e+00 3.00 -2.992494706e+00 -2.992494706e+00 3.02 -2.926278648e+00 -2.926278648e+00 3.04 -2.859469413e+00 -2.859469413e+00 3.06 -2.792281862e+00 -2.792281862e+00 3.08 -2.724891202e+00 -2.724891202e+00 3.10 -2.657442764e+00 -2.657442764e+00 3.12 -2.590060942e+00 -2.590060942e+00 3.14 -2.522856821e+00 -2.522856821e+00 3.16 -2.455934572e+00 -2.455934572e+00 3.18 -2.389396839e+00 -2.389396839e+00 3.20 -2.323349106e+00 -2.323349106e+00 3.22 -2.257902772e+00 -2.257902772e+00 3.24 -2.193176586e+00 -2.193176586e+00 3.26 -2.129296156e+00 -2.129296156e+00 3.28 -2.066391544e+00 -2.066391544e+00 3.30 -2.004593223e+00 -2.004593223e+00 3.32 -1.944026966e+00 -1.944026966e+00 3.34 -1.884808402e+00 -1.884808402e+00 3.36 -1.827037988e+00 -1.827037988e+00 3.38 -1.770797024e+00 -1.770797024e+00 3.40 -1.716145162e+00 -1.716145162e+00 3.42 -1.663119540e+00 -1.663119540e+00 3.44 -1.611735467e+00 -1.611735467e+00 3.46 -1.561988357e+00 -1.561988357e+00 3.48 -1.513856527e+00 -1.513856527e+00 3.50 -1.467304433e+00 -1.467304433e+00 3.52 -1.422285968e+00 -1.422285968e+00 3.54 -1.378747536e+00 -1.378747536e+00 3.56 -1.336630720e+00 -1.336630720e+00 3.58 -1.295874449e+00 -1.295874449e+00 3.60 -1.256416645e+00 -1.256416645e+00 3.62 -1.218195416e+00 -1.218195416e+00 3.64 -1.181149836e+00 -1.181149836e+00 3.66 -1.145220434e+00 -1.145220434e+00 3.68 -1.110349460e+00 -1.110349460e+00 3.70 -1.076481019e+00 -1.076481019e+00 3.72 -1.043561147e+00 -1.043561147e+00 3.74 -1.011537864e+00 -1.011537864e+00 3.76 -9.803612495e-01 -9.803612495e-01 3.78 -9.499835557e-01 -9.499835557e-01 3.80 -9.203593534e-01 -9.203593534e-01 3.82 -8.914457160e-01 -8.914457160e-01 3.84 -8.632024263e-01 -8.632024263e-01 3.86 -8.355922011e-01 -8.355922011e-01 3.88 -8.085809329e-01 -8.085809329e-01 3.90 -7.821379518e-01 -7.821379518e-01 3.92 -7.562363189e-01 -7.562363189e-01 3.94 -7.308531635e-01 -7.308531635e-01 3.96 -7.059700566e-01 -7.059700566e-01 3.98 -6.815734192e-01 -6.815734192e-01 4.00 -6.576549169e-01 -6.576549169e-01 4.02 -6.342117781e-01 -6.342117781e-01 4.04 -6.112469457e-01 -6.112469457e-01 4.06 -5.887689593e-01 -5.887689593e-01 4.08 -5.667914721e-01 -5.667914721e-01 4.10 -5.453323423e-01 -5.453323423e-01 4.12 -5.244123053e-01 -5.244123053e-01 4.14 -5.040532795e-01 -5.040532795e-01 4.16 -4.842764903e-01 -4.842764903e-01 4.18 -4.651005923e-01 -4.651005923e-01 4.20 -4.465400202e-01 -4.465400202e-01 4.22 -4.286037528e-01 -4.286037528e-01 4.24 -4.112946012e-01 -4.112946012e-01 4.26 -3.946090360e-01 -3.946090360e-01 4.28 -3.785374780e-01 -3.785374780e-01 4.30 -3.630649143e-01 -3.630649143e-01 4.32 -3.481716768e-01 -3.481716768e-01 4.34 -3.338342423e-01 -3.338342423e-01 4.36 -3.200259546e-01 -3.200259546e-01 4.38 -3.067176299e-01 -3.067176299e-01 4.40 -2.938780557e-01 -2.938780557e-01 4.42 -2.814744285e-01 -2.814744285e-01 4.44 -2.694727904e-01 -2.694727904e-01 4.46 -2.578385174e-01 -2.578385174e-01 4.48 -2.465368957e-01 -2.465368957e-01 4.50 -2.355338015e-01 -2.355338015e-01 4.52 -2.247964770e-01 -2.247964770e-01 4.54 -2.142943828e-01 -2.142943828e-01 4.56 -2.040000936e-01 -2.040000936e-01 4.58 -1.938901979e-01 -1.938901979e-01 4.60 -1.839461558e-01 -1.839461558e-01 4.62 -1.741550623e-01 -1.741550623e-01 4.64 -1.645102571e-01 -1.645102571e-01 4.66 -1.550117182e-01 -1.550117182e-01 4.68 -1.456661743e-01 -1.456661743e-01 4.70 -1.364868804e-01 -1.364868804e-01 4.72 -1.274930222e-01 -1.274930222e-01 4.74 -1.187087414e-01 -1.187087414e-01 4.76 -1.101618172e-01 -1.101618172e-01 4.78 -1.018820839e-01 -1.018820839e-01 4.80 -9.389970027e-02 -9.389970027e-02 4.82 -8.624341969e-02 -8.624341969e-02 4.84 -7.893900567e-02 -7.893900567e-02 4.86 -7.200794038e-02 -7.200794038e-02 4.88 -6.546651084e-02 -6.546651084e-02 4.90 -5.932532382e-02 -5.932532382e-02 4.92 -5.358923823e-02 -5.358923823e-02 4.94 -4.825766116e-02 -4.825766116e-02 4.96 -4.332510846e-02 -4.332510846e-02 4.98 -3.878192862e-02 -3.878192862e-02 5.00 -3.461509603e-02 -3.461509603e-02 5.02 -3.080898352e-02 -3.080898352e-02 5.04 -2.734566585e-02 -2.734566585e-02 5.06 -2.420610610e-02 -2.420610610e-02 5.08 -2.137108298e-02 -2.137108298e-02 5.10 -1.882065670e-02 -1.882065670e-02 5.12 -1.653478816e-02 -1.653478816e-02 5.14 -1.449346649e-02 -1.449346649e-02 5.16 -1.267695211e-02 -1.267695211e-02 5.18 -1.106598555e-02 -1.106598555e-02 5.20 -9.641963088e-03 -9.641963088e-03 5.22 -8.387084667e-03 -8.387084667e-03 5.24 -7.284475631e-03 -7.284475631e-03 5.26 -6.318281734e-03 -6.318281734e-03 5.28 -5.473736632e-03 -5.473736632e-03 5.30 -4.737201850e-03 -4.737201850e-03 5.32 -4.096180383e-03 -4.096180383e-03 5.34 -3.539306354e-03 -3.539306354e-03 5.36 -3.056314121e-03 -3.056314121e-03 5.38 -2.637990769e-03 -2.637990769e-03 5.40 -2.276116121e-03 -2.276116121e-03 5.42 -1.963394241e-03 -1.963394241e-03 5.44 -1.693379990e-03 -1.693379990e-03 5.46 -1.460403681e-03 -1.460403681e-03 5.48 -1.259496280e-03 -1.259496280e-03 5.50 -1.086317014e-03 -1.086317014e-03 5.52 -9.370847294e-04 -9.370847294e-04 5.54 -8.085138742e-04 -8.085138742e-04 5.56 -6.977556062e-04 -6.977556062e-04 5.58 -6.023442297e-04 -6.023442297e-04 5.60 -5.201489448e-04 -5.201489448e-04 5.62 -4.493307334e-04 -4.493307334e-04 5.64 -3.883040951e-04 -3.883040951e-04 5.66 -3.357032853e-04 -3.357032853e-04 5.68 -2.903526710e-04 -2.903526710e-04 5.70 -2.512408117e-04 -2.512408117e-04 5.72 -2.174978766e-04 -2.174978766e-04 5.74 -1.883760268e-04 -1.883760268e-04 5.76 -1.632324186e-04 -1.632324186e-04 5.78 -1.415145059e-04 -1.415145059e-04 5.80 -1.227473559e-04 -1.227473559e-04 5.82 -1.065227172e-04 -1.065227172e-04 5.84 -9.248960980e-05 -9.248960980e-05 5.86 -8.034623296e-05 -8.034623296e-05 5.88 -6.983301247e-05 -6.983301247e-05 5.90 -6.072662986e-05 -6.072662986e-05 5.92 -5.283489773e-05 -5.283489773e-05 5.94 -4.599236248e-05 -4.599236248e-05 5.96 -4.005653227e-05 -4.005653227e-05 5.98 -3.490464164e-05 -3.490464164e-05 6.00 -3.043087645e-05 -3.043087645e-05