# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2NiPd # 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 2022-05-24 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 8.327036647e+02 8.327036647e+02 1.00 7.599725112e+02 7.599725112e+02 1.02 6.942177425e+02 6.942177425e+02 1.04 6.347169317e+02 6.347169317e+02 1.06 5.808245549e+02 5.808245549e+02 1.08 5.319675504e+02 5.319675504e+02 1.10 4.876376472e+02 4.876376472e+02 1.12 4.473746581e+02 4.473746581e+02 1.14 4.107716281e+02 4.107716281e+02 1.16 3.774683736e+02 3.774683736e+02 1.18 3.471395078e+02 3.471395078e+02 1.20 3.194921558e+02 3.194921558e+02 1.22 2.942646931e+02 2.942646931e+02 1.24 2.712227136e+02 2.712227136e+02 1.26 2.501555481e+02 2.501555481e+02 1.28 2.308745481e+02 2.308745481e+02 1.30 2.132109300e+02 2.132109300e+02 1.32 1.970120738e+02 1.970120738e+02 1.34 1.821406502e+02 1.821406502e+02 1.36 1.684742419e+02 1.684742419e+02 1.38 1.559026679e+02 1.559026679e+02 1.40 1.443259940e+02 1.443259940e+02 1.42 1.336558174e+02 1.336558174e+02 1.44 1.238107016e+02 1.238107016e+02 1.46 1.147176745e+02 1.147176745e+02 1.48 1.063104886e+02 1.063104886e+02 1.50 9.853027814e+01 9.853027814e+01 1.52 9.132401407e+01 9.132401407e+01 1.54 8.464286088e+01 8.464286088e+01 1.56 7.844327259e+01 7.844327259e+01 1.58 7.268613249e+01 7.268613249e+01 1.60 6.733535631e+01 6.733535631e+01 1.62 6.235887772e+01 6.235887772e+01 1.64 5.772598641e+01 5.772598641e+01 1.66 5.341034124e+01 5.341034124e+01 1.68 4.938771195e+01 4.938771195e+01 1.70 4.563569135e+01 4.563569135e+01 1.72 4.213329221e+01 4.213329221e+01 1.74 3.886297357e+01 3.886297357e+01 1.76 3.580777148e+01 3.580777148e+01 1.78 3.295227100e+01 3.295227100e+01 1.80 3.028211331e+01 3.028211331e+01 1.82 2.778417804e+01 2.778417804e+01 1.84 2.545010007e+01 2.545010007e+01 1.86 2.326556663e+01 2.326556663e+01 1.88 2.119973520e+01 2.119973520e+01 1.90 1.927300971e+01 1.927300971e+01 1.92 1.746127188e+01 1.746127188e+01 1.94 1.575946530e+01 1.575946530e+01 1.96 1.416267415e+01 1.416267415e+01 1.98 1.266619913e+01 1.266619913e+01 2.00 1.126541225e+01 1.126541225e+01 2.02 9.955840495e+00 9.955840495e+00 2.04 8.733126396e+00 8.733126396e+00 2.06 7.592855682e+00 7.592855682e+00 2.08 6.530833491e+00 6.530833491e+00 2.10 5.543245742e+00 5.543245742e+00 2.12 4.626456143e+00 4.626456143e+00 2.14 3.777245920e+00 3.777245920e+00 2.16 2.991236772e+00 2.991236772e+00 2.18 2.264963141e+00 2.264963141e+00 2.20 1.595147678e+00 1.595147678e+00 2.22 9.784481258e-01 9.784481258e-01 2.24 4.119461741e-01 4.119461741e-01 2.26 -1.072181061e-01 -1.072181061e-01 2.28 -5.818477138e-01 -5.818477138e-01 2.30 -1.014638337e+00 -1.014638337e+00 2.32 -1.408185575e+00 -1.408185575e+00 2.34 -1.764895830e+00 -1.764895830e+00 2.36 -2.087096316e+00 -2.087096316e+00 2.38 -2.376648101e+00 -2.376648101e+00 2.40 -2.635797977e+00 -2.635797977e+00 2.42 -2.866831617e+00 -2.866831617e+00 2.44 -3.071670982e+00 -3.071670982e+00 2.46 -3.252127612e+00 -3.252127612e+00 2.48 -3.409928182e+00 -3.409928182e+00 2.50 -3.546707998e+00 -3.546707998e+00 2.52 -3.664261066e+00 -3.664261066e+00 2.54 -3.763954528e+00 -3.763954528e+00 2.56 -3.847038586e+00 -3.847038586e+00 2.58 -3.914803487e+00 -3.914803487e+00 2.60 -3.968463650e+00 -3.968463650e+00 2.62 -4.009160511e+00 -4.009160511e+00 2.64 -4.037810622e+00 -4.037810622e+00 2.66 -4.055523193e+00 -4.055523193e+00 2.68 -4.063134034e+00 -4.063134034e+00 2.70 -4.061678611e+00 -4.061678611e+00 2.72 -4.051981184e+00 -4.051981184e+00 2.74 -4.034809168e+00 -4.034809168e+00 2.76 -4.010873761e+00 -4.010873761e+00 2.78 -3.981200308e+00 -3.981200308e+00 2.80 -3.946140808e+00 -3.946140808e+00 2.82 -3.905944973e+00 -3.905944973e+00 2.84 -3.861387212e+00 -3.861387212e+00 2.86 -3.812953189e+00 -3.812953189e+00 2.88 -3.761093942e+00 -3.761093942e+00 2.90 -3.706261777e+00 -3.706261777e+00 2.92 -3.649191775e+00 -3.649191775e+00 2.94 -3.589830527e+00 -3.589830527e+00 2.96 -3.528777505e+00 -3.528777505e+00 2.98 -3.466040390e+00 -3.466040390e+00 3.00 -3.401906081e+00 -3.401906081e+00 3.02 -3.336397465e+00 -3.336397465e+00 3.04 -3.269604153e+00 -3.269604153e+00 3.06 -3.201540812e+00 -3.201540812e+00 3.08 -3.132926634e+00 -3.132926634e+00 3.10 -3.064067973e+00 -3.064067973e+00 3.12 -2.995122211e+00 -2.995122211e+00 3.14 -2.926236396e+00 -2.926236396e+00 3.16 -2.857542719e+00 -2.857542719e+00 3.18 -2.789160637e+00 -2.789160637e+00 3.20 -2.721197840e+00 -2.721197840e+00 3.22 -2.653751132e+00 -2.653751132e+00 3.24 -2.586901696e+00 -2.586901696e+00 3.26 -2.521019000e+00 -2.521019000e+00 3.28 -2.455967270e+00 -2.455967270e+00 3.30 -2.391706532e+00 -2.391706532e+00 3.32 -2.328291396e+00 -2.328291396e+00 3.34 -2.265769965e+00 -2.265769965e+00 3.36 -2.204184166e+00 -2.204184166e+00 3.38 -2.143570591e+00 -2.143570591e+00 3.40 -2.083984901e+00 -2.083984901e+00 3.42 -2.025770615e+00 -2.025770615e+00 3.44 -1.968588502e+00 -1.968588502e+00 3.46 -1.912454801e+00 -1.912454801e+00 3.48 -1.857396562e+00 -1.857396562e+00 3.50 -1.803445052e+00 -1.803445052e+00 3.52 -1.750514102e+00 -1.750514102e+00 3.54 -1.698540112e+00 -1.698540112e+00 3.56 -1.647606477e+00 -1.647606477e+00 3.58 -1.597791721e+00 -1.597791721e+00 3.60 -1.549098892e+00 -1.549098892e+00 3.62 -1.501519518e+00 -1.501519518e+00 3.64 -1.455027154e+00 -1.455027154e+00 3.66 -1.409581002e+00 -1.409581002e+00 3.68 -1.365116385e+00 -1.365116385e+00 3.70 -1.321581454e+00 -1.321581454e+00 3.72 -1.278984319e+00 -1.278984319e+00 3.74 -1.237380560e+00 -1.237380560e+00 3.76 -1.196815232e+00 -1.196815232e+00 3.78 -1.157290356e+00 -1.157290356e+00 3.80 -1.118779565e+00 -1.118779565e+00 3.82 -1.081270572e+00 -1.081270572e+00 3.84 -1.044752037e+00 -1.044752037e+00 3.86 -1.009219275e+00 -1.009219275e+00 3.88 -9.746040303e-01 -9.746040303e-01 3.90 -9.407993911e-01 -9.407993911e-01 3.92 -9.078627698e-01 -9.078627698e-01 3.94 -8.758549565e-01 -8.758549565e-01 3.96 -8.448211044e-01 -8.448211044e-01 3.98 -8.147769353e-01 -8.147769353e-01 4.00 -7.857244299e-01 -7.857244299e-01 4.02 -7.576350458e-01 -7.576350458e-01 4.04 -7.306267285e-01 -7.306267285e-01 4.06 -7.045573688e-01 -7.045573688e-01 4.08 -6.792817143e-01 -6.792817143e-01 4.10 -6.546922053e-01 -6.546922053e-01 4.12 -6.307191973e-01 -6.307191973e-01 4.14 -6.073231972e-01 -6.073231972e-01 4.16 -5.845316066e-01 -5.845316066e-01 4.18 -5.625327288e-01 -5.625327288e-01 4.20 -5.408617371e-01 -5.408617371e-01 4.22 -5.194280674e-01 -5.194280674e-01 4.24 -4.981701543e-01 -4.981701543e-01 4.26 -4.770298100e-01 -4.770298100e-01 4.28 -4.559626629e-01 -4.559626629e-01 4.30 -4.350512314e-01 -4.350512314e-01 4.32 -4.143737913e-01 -4.143737913e-01 4.34 -3.939973295e-01 -3.939973295e-01 4.36 -3.739784778e-01 -3.739784778e-01 4.38 -3.543527489e-01 -3.543527489e-01 4.40 -3.351296920e-01 -3.351296920e-01 4.42 -3.163701134e-01 -3.163701134e-01 4.44 -2.981540461e-01 -2.981540461e-01 4.46 -2.805400131e-01 -2.805400131e-01 4.48 -2.635688322e-01 -2.635688322e-01 4.50 -2.472668240e-01 -2.472668240e-01 4.52 -2.316485138e-01 -2.316485138e-01 4.54 -2.167189032e-01 -2.167189032e-01 4.56 -2.024752628e-01 -2.024752628e-01 4.58 -1.888992625e-01 -1.888992625e-01 4.60 -1.762547638e-01 -1.762547638e-01 4.62 -1.645011924e-01 -1.645011924e-01 4.64 -1.533392024e-01 -1.533392024e-01 4.66 -1.427566576e-01 -1.427566576e-01 4.68 -1.327309515e-01 -1.327309515e-01 4.70 -1.232389282e-01 -1.232389282e-01 4.72 -1.142572458e-01 -1.142572458e-01 4.74 -1.057626376e-01 -1.057626376e-01 4.76 -9.773211867e-02 -9.773211867e-02 4.78 -9.014668586e-02 -9.014668586e-02 4.80 -8.297784948e-02 -8.297784948e-02 4.82 -7.734741090e-02 -7.734741090e-02 4.84 -7.214869051e-02 -7.214869051e-02 4.86 -6.723121140e-02 -6.723121140e-02 4.88 -6.258086697e-02 -6.258086697e-02 4.90 -5.818402691e-02 -5.818402691e-02 4.92 -5.402761603e-02 -5.402761603e-02 4.94 -5.009911686e-02 -5.009911686e-02 4.96 -4.638656616e-02 -4.638656616e-02 4.98 -4.287854724e-02 -4.287854724e-02 5.00 -3.956417902e-02 -3.956417902e-02 5.02 -3.643310286e-02 -3.643310286e-02 5.04 -3.347546720e-02 -3.347546720e-02 5.06 -3.068191029e-02 -3.068191029e-02 5.08 -2.804354248e-02 -2.804354248e-02 5.10 -2.555192790e-02 -2.555192790e-02 5.12 -2.319906594e-02 -2.319906594e-02 5.14 -2.097737245e-02 -2.097737245e-02 5.16 -1.887966097e-02 -1.887966097e-02 5.18 -1.689912445e-02 -1.689912445e-02 5.20 -1.502931732e-02 -1.502931732e-02 5.22 -1.326413819e-02 -1.326413819e-02 5.24 -1.159781263e-02 -1.159781263e-02 5.26 -1.002486163e-02 -1.002486163e-02 5.28 -8.541110184e-03 -8.541110184e-03 5.30 -7.163231777e-03 -7.163231777e-03 5.32 -6.345490270e-03 -6.345490270e-03 5.34 -5.592406928e-03 -5.592406928e-03 5.36 -4.888303685e-03 -4.888303685e-03 5.38 -4.226671479e-03 -4.226671479e-03 5.40 -3.605013318e-03 -3.605013318e-03 5.42 -3.020975263e-03 -3.020975263e-03 5.44 -2.472338445e-03 -2.472338445e-03 5.46 -1.957011543e-03 -1.957011543e-03 5.48 -1.473023679e-03 -1.473023679e-03 5.50 -1.018517697e-03 -1.018517697e-03 5.52 -5.917437076e-04 -5.917437076e-04 5.54 -1.884813597e-04 -1.884813597e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00