# 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 = NiW2Zr # 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 3.367728169e+02 3.367728169e+02 1.30 3.108644752e+02 3.108644752e+02 1.32 2.869703621e+02 2.869703621e+02 1.34 2.649145392e+02 2.649145392e+02 1.36 2.445349393e+02 2.445349393e+02 1.38 2.256846963e+02 2.256846963e+02 1.40 2.082329176e+02 2.082329176e+02 1.42 1.920638564e+02 1.920638564e+02 1.44 1.770750213e+02 1.770750213e+02 1.46 1.631752131e+02 1.631752131e+02 1.48 1.502828554e+02 1.502828554e+02 1.50 1.383244563e+02 1.383244563e+02 1.52 1.272333747e+02 1.272333747e+02 1.54 1.169490533e+02 1.169490533e+02 1.56 1.074165437e+02 1.074165437e+02 1.58 9.858595217e+01 9.858595217e+01 1.60 9.041154327e+01 9.041154327e+01 1.62 8.285061382e+01 8.285061382e+01 1.64 7.586244592e+01 7.586244592e+01 1.66 6.940758574e+01 6.940758574e+01 1.68 6.344753928e+01 6.344753928e+01 1.70 5.794492248e+01 5.794492248e+01 1.72 5.286379265e+01 5.286379265e+01 1.74 4.817002932e+01 4.817002932e+01 1.76 4.383163272e+01 4.383163272e+01 1.78 3.981895649e+01 3.981895649e+01 1.80 3.610483680e+01 3.610483680e+01 1.82 3.266467075e+01 3.266467075e+01 1.84 2.947636533e+01 2.947636533e+01 1.86 2.652030703e+01 2.652030703e+01 1.88 2.377926846e+01 2.377926846e+01 1.90 2.123821821e+01 2.123821821e+01 1.92 1.888396543e+01 1.888396543e+01 1.94 1.670522472e+01 1.670522472e+01 1.96 1.469238082e+01 1.469238082e+01 1.98 1.283525158e+01 1.283525158e+01 2.00 1.112383997e+01 1.112383997e+01 2.02 9.548418259e+00 9.548418259e+00 2.04 8.099455837e+00 8.099455837e+00 2.06 6.767571284e+00 6.767571284e+00 2.08 5.543523746e+00 5.543523746e+00 2.10 4.418270440e+00 4.418270440e+00 2.12 3.383100229e+00 3.383100229e+00 2.14 2.429816445e+00 2.429816445e+00 2.16 1.550937616e+00 1.550937616e+00 2.18 7.398337802e-01 7.398337802e-01 2.20 -9.229617501e-03 -9.229617501e-03 2.22 -7.011589887e-01 -7.011589887e-01 2.24 -1.340158082e+00 -1.340158082e+00 2.26 -1.929872198e+00 -1.929872198e+00 2.28 -2.473532437e+00 -2.473532437e+00 2.30 -2.974050162e+00 -2.974050162e+00 2.32 -3.434129418e+00 -3.434129418e+00 2.34 -3.856299570e+00 -3.856299570e+00 2.36 -4.242963968e+00 -4.242963968e+00 2.38 -4.596402048e+00 -4.596402048e+00 2.40 -4.918764581e+00 -4.918764581e+00 2.42 -5.212074411e+00 -5.212074411e+00 2.44 -5.478228422e+00 -5.478228422e+00 2.46 -5.719011113e+00 -5.719011113e+00 2.48 -5.936100555e+00 -5.936100555e+00 2.50 -6.131066794e+00 -6.131066794e+00 2.52 -6.305362644e+00 -6.305362644e+00 2.54 -6.460311597e+00 -6.460311597e+00 2.56 -6.597098874e+00 -6.597098874e+00 2.58 -6.716771165e+00 -6.716771165e+00 2.60 -6.820248305e+00 -6.820248305e+00 2.62 -6.908233956e+00 -6.908233956e+00 2.64 -6.981456541e+00 -6.981456541e+00 2.66 -7.040757433e+00 -7.040757433e+00 2.68 -7.086947156e+00 -7.086947156e+00 2.70 -7.120826006e+00 -7.120826006e+00 2.72 -7.143198716e+00 -7.143198716e+00 2.74 -7.154879182e+00 -7.154879182e+00 2.76 -7.156711059e+00 -7.156711059e+00 2.78 -7.149485824e+00 -7.149485824e+00 2.80 -7.133430830e+00 -7.133430830e+00 2.82 -7.108605157e+00 -7.108605157e+00 2.84 -7.075138285e+00 -7.075138285e+00 2.86 -7.033219476e+00 -7.033219476e+00 2.88 -6.983096407e+00 -6.983096407e+00 2.90 -6.925079440e+00 -6.925079440e+00 2.92 -6.859539253e+00 -6.859539253e+00 2.94 -6.786813200e+00 -6.786813200e+00 2.96 -6.707261510e+00 -6.707261510e+00 2.98 -6.621343425e+00 -6.621343425e+00 3.00 -6.529599432e+00 -6.529599432e+00 3.02 -6.432624955e+00 -6.432624955e+00 3.04 -6.331038023e+00 -6.331038023e+00 3.06 -6.225454081e+00 -6.225454081e+00 3.08 -6.116445358e+00 -6.116445358e+00 3.10 -6.004473751e+00 -6.004473751e+00 3.12 -5.889813658e+00 -5.889813658e+00 3.14 -5.772670927e+00 -5.772670927e+00 3.16 -5.653176749e+00 -5.653176749e+00 3.18 -5.531410514e+00 -5.531410514e+00 3.20 -5.407408387e+00 -5.407408387e+00 3.22 -5.281180357e+00 -5.281180357e+00 3.24 -5.152729517e+00 -5.152729517e+00 3.26 -5.022071686e+00 -5.022071686e+00 3.28 -4.889253440e+00 -4.889253440e+00 3.30 -4.754366880e+00 -4.754366880e+00 3.32 -4.617560111e+00 -4.617560111e+00 3.34 -4.479043519e+00 -4.479043519e+00 3.36 -4.339092909e+00 -4.339092909e+00 3.38 -4.198050935e+00 -4.198050935e+00 3.40 -4.056326648e+00 -4.056326648e+00 3.42 -3.914398587e+00 -3.914398587e+00 3.44 -3.772804476e+00 -3.772804476e+00 3.46 -3.632136700e+00 -3.632136700e+00 3.48 -3.493025738e+00 -3.493025738e+00 3.50 -3.356118501e+00 -3.356118501e+00 3.52 -3.222052010e+00 -3.222052010e+00 3.54 -3.091425194e+00 -3.091425194e+00 3.56 -2.964772108e+00 -2.964772108e+00 3.58 -2.842539624e+00 -2.842539624e+00 3.60 -2.725071849e+00 -2.725071849e+00 3.62 -2.612602412e+00 -2.612602412e+00 3.64 -2.505254671e+00 -2.505254671e+00 3.66 -2.403048893e+00 -2.403048893e+00 3.68 -2.305914906e+00 -2.305914906e+00 3.70 -2.213708413e+00 -2.213708413e+00 3.72 -2.126229170e+00 -2.126229170e+00 3.74 -2.043239468e+00 -2.043239468e+00 3.76 -1.964481599e+00 -1.964481599e+00 3.78 -1.889693302e+00 -1.889693302e+00 3.80 -1.818620437e+00 -1.818620437e+00 3.82 -1.751026316e+00 -1.751026316e+00 3.84 -1.686697376e+00 -1.686697376e+00 3.86 -1.625445123e+00 -1.625445123e+00 3.88 -1.567104647e+00 -1.567104647e+00 3.90 -1.511530416e+00 -1.511530416e+00 3.92 -1.458588899e+00 -1.458588899e+00 3.94 -1.408158662e+00 -1.408158662e+00 3.96 -1.360114856e+00 -1.360114856e+00 3.98 -1.314332520e+00 -1.314332520e+00 4.00 -1.270682924e+00 -1.270682924e+00 4.02 -1.229033725e+00 -1.229033725e+00 4.04 -1.189250560e+00 -1.189250560e+00 4.06 -1.151199439e+00 -1.151199439e+00 4.08 -1.114749329e+00 -1.114749329e+00 4.10 -1.079768786e+00 -1.079768786e+00 4.12 -1.046151591e+00 -1.046151591e+00 4.14 -1.013780319e+00 -1.013780319e+00 4.16 -9.825534649e-01 -9.825534649e-01 4.18 -9.523785633e-01 -9.523785633e-01 4.20 -9.231717908e-01 -9.231717908e-01 4.22 -8.948581918e-01 -8.948581918e-01 4.24 -8.673712576e-01 -8.673712576e-01 4.26 -8.406521958e-01 -8.406521958e-01 4.28 -8.146497727e-01 -8.146497727e-01 4.30 -7.893202241e-01 -7.893202241e-01 4.32 -7.646272443e-01 -7.646272443e-01 4.34 -7.405420251e-01 -7.405420251e-01 4.36 -7.170432863e-01 -7.170432863e-01 4.38 -6.941172141e-01 -6.941172141e-01 4.40 -6.717572143e-01 -6.717572143e-01 4.42 -6.499633891e-01 -6.499633891e-01 4.44 -6.287416707e-01 -6.287416707e-01 4.46 -6.081025885e-01 -6.081025885e-01 4.48 -5.880597024e-01 -5.880597024e-01 4.50 -5.686277995e-01 -5.686277995e-01 4.52 -5.498210042e-01 -5.498210042e-01 4.54 -5.316509820e-01 -5.316509820e-01 4.56 -5.141254181e-01 -5.141254181e-01 4.58 -4.972469139e-01 -4.972469139e-01 4.60 -4.810123851e-01 -4.810123851e-01 4.62 -4.654129728e-01 -4.654129728e-01 4.64 -4.504344120e-01 -4.504344120e-01 4.66 -4.360577525e-01 -4.360577525e-01 4.68 -4.222603036e-01 -4.222603036e-01 4.70 -4.090166746e-01 -4.090166746e-01 4.72 -3.962997999e-01 -3.962997999e-01 4.74 -3.840818680e-01 -3.840818680e-01 4.76 -3.723351047e-01 -3.723351047e-01 4.78 -3.610323882e-01 -3.610323882e-01 4.80 -3.501445208e-01 -3.501445208e-01 4.82 -3.396537733e-01 -3.396537733e-01 4.84 -3.295332731e-01 -3.295332731e-01 4.86 -3.197616065e-01 -3.197616065e-01 4.88 -3.103189740e-01 -3.103189740e-01 4.90 -3.011871245e-01 -3.011871245e-01 4.92 -2.923492550e-01 -2.923492550e-01 4.94 -2.837898894e-01 -2.837898894e-01 4.96 -2.754947482e-01 -2.754947482e-01 4.98 -2.674506185e-01 -2.674506185e-01 5.00 -2.596452285e-01 -2.596452285e-01 5.02 -2.520671308e-01 -2.520671308e-01 5.04 -2.447055982e-01 -2.447055982e-01 5.06 -2.375505309e-01 -2.375505309e-01 5.08 -2.305923790e-01 -2.305923790e-01 5.10 -2.238220790e-01 -2.238220790e-01 5.12 -2.172310048e-01 -2.172310048e-01 5.14 -2.108109359e-01 -2.108109359e-01 5.16 -2.045540395e-01 -2.045540395e-01 5.18 -1.984528710e-01 -1.984528710e-01 5.20 -1.925003903e-01 -1.925003903e-01 5.22 -1.866899956e-01 -1.866899956e-01 5.24 -1.810155726e-01 -1.810155726e-01 5.26 -1.754715594e-01 -1.754715594e-01 5.28 -1.700530220e-01 -1.700530220e-01 5.30 -1.647557376e-01 -1.647557376e-01 5.32 -1.595762783e-01 -1.595762783e-01 5.34 -1.545120856e-01 -1.545120856e-01 5.36 -1.495615275e-01 -1.495615275e-01 5.38 -1.447239243e-01 -1.447239243e-01 5.40 -1.399995338e-01 -1.399995338e-01 5.42 -1.353894845e-01 -1.353894845e-01 5.44 -1.308956531e-01 -1.308956531e-01 5.46 -1.265204850e-01 -1.265204850e-01 5.48 -1.222667644e-01 -1.222667644e-01 5.50 -1.181373481e-01 -1.181373481e-01 5.52 -1.141348841e-01 -1.141348841e-01 5.54 -1.102615358e-01 -1.102615358e-01 5.56 -1.065187386e-01 -1.065187386e-01 5.58 -1.029070066e-01 -1.029070066e-01 5.60 -9.942570491e-02 -9.942570491e-02 5.62 -9.607314699e-02 -9.607314699e-02 5.64 -9.284670584e-02 -9.284670584e-02 5.66 -8.974270970e-02 -8.974270970e-02 5.68 -8.675657115e-02 -8.675657115e-02 5.70 -8.388294653e-02 -8.388294653e-02 5.72 -8.111590807e-02 -8.111590807e-02 5.74 -7.844911412e-02 -7.844911412e-02 5.76 -7.587596635e-02 -7.587596635e-02 5.78 -7.338974692e-02 -7.338974692e-02 5.80 -7.098373204e-02 -7.098373204e-02 5.82 -6.865128149e-02 -6.865128149e-02 5.84 -6.638590600e-02 -6.638590600e-02 5.86 -6.418131570e-02 -6.418131570e-02 5.88 -6.203145378e-02 -6.203145378e-02 5.90 -5.993051979e-02 -5.993051979e-02 5.92 -5.787298675e-02 -5.787298675e-02 5.94 -5.585361619e-02 -5.585361619e-02 5.96 -5.386747459e-02 -5.386747459e-02 5.98 -5.190995411e-02 -5.190995411e-02 6.00 -4.997680007e-02 -4.997680007e-02