# 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 = Au2CuFe # 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 2.446435307e+02 2.446435307e+02 1.30 2.254933611e+02 2.254933611e+02 1.32 2.078183331e+02 2.078183331e+02 1.34 1.915018020e+02 1.915018020e+02 1.36 1.764358294e+02 1.764358294e+02 1.38 1.625197032e+02 1.625197032e+02 1.40 1.496599778e+02 1.496599778e+02 1.42 1.377707782e+02 1.377707782e+02 1.44 1.267738581e+02 1.267738581e+02 1.46 1.165983131e+02 1.165983131e+02 1.48 1.071799718e+02 1.071799718e+02 1.50 9.846060805e+01 9.846060805e+01 1.52 9.038700070e+01 9.038700070e+01 1.54 8.290986671e+01 8.290986671e+01 1.56 7.598297004e+01 7.598297004e+01 1.58 6.956273838e+01 6.956273838e+01 1.60 6.360839582e+01 6.360839582e+01 1.62 5.808230831e+01 5.808230831e+01 1.64 5.295021036e+01 5.295021036e+01 1.66 4.818122173e+01 4.818122173e+01 1.68 4.376077074e+01 4.376077074e+01 1.70 3.968364413e+01 3.968364413e+01 1.72 3.592535982e+01 3.592535982e+01 1.74 3.246375961e+01 3.246375961e+01 1.76 2.927858729e+01 2.927858729e+01 1.78 2.635075009e+01 2.635075009e+01 1.80 2.366181170e+01 2.366181170e+01 1.82 2.119379331e+01 2.119379331e+01 1.84 1.892930076e+01 1.892930076e+01 1.86 1.685183724e+01 1.685183724e+01 1.88 1.494609502e+01 1.494609502e+01 1.90 1.319808783e+01 1.319808783e+01 1.92 1.159510105e+01 1.159510105e+01 1.94 1.012551674e+01 1.012551674e+01 1.96 8.778602878e+00 8.778602878e+00 1.98 7.544354437e+00 7.544354437e+00 2.00 6.413436219e+00 6.413436219e+00 2.02 5.377216533e+00 5.377216533e+00 2.04 4.427830016e+00 4.427830016e+00 2.06 3.558204193e+00 3.558204193e+00 2.08 2.762021919e+00 2.762021919e+00 2.10 2.033633319e+00 2.033633319e+00 2.12 1.367947859e+00 1.367947859e+00 2.14 7.603314682e-01 7.603314682e-01 2.16 2.065211249e-01 2.065211249e-01 2.18 -2.974391891e-01 -2.974391891e-01 2.20 -7.552408276e-01 -7.552408276e-01 2.22 -1.170332894e+00 -1.170332894e+00 2.24 -1.545929763e+00 -1.545929763e+00 2.26 -1.885012298e+00 -1.885012298e+00 2.28 -2.190332262e+00 -2.190332262e+00 2.30 -2.464425782e+00 -2.464425782e+00 2.32 -2.709635052e+00 -2.709635052e+00 2.34 -2.928131959e+00 -2.928131959e+00 2.36 -3.121936777e+00 -3.121936777e+00 2.38 -3.292929075e+00 -3.292929075e+00 2.40 -3.442853336e+00 -3.442853336e+00 2.42 -3.573324392e+00 -3.573324392e+00 2.44 -3.685836770e+00 -3.685836770e+00 2.46 -3.781778936e+00 -3.781778936e+00 2.48 -3.862450757e+00 -3.862450757e+00 2.50 -3.929081264e+00 -3.929081264e+00 2.52 -3.982843983e+00 -3.982843983e+00 2.54 -4.024867919e+00 -4.024867919e+00 2.56 -4.056264072e+00 -4.056264072e+00 2.58 -4.078247861e+00 -4.078247861e+00 2.60 -4.091675673e+00 -4.091675673e+00 2.62 -4.097322804e+00 -4.097322804e+00 2.64 -4.096194024e+00 -4.096194024e+00 2.66 -4.088824692e+00 -4.088824692e+00 2.68 -4.075511050e+00 -4.075511050e+00 2.70 -4.056544106e+00 -4.056544106e+00 2.72 -4.032208353e+00 -4.032208353e+00 2.74 -4.002771421e+00 -4.002771421e+00 2.76 -3.968503703e+00 -3.968503703e+00 2.78 -3.929711503e+00 -3.929711503e+00 2.80 -3.886727689e+00 -3.886727689e+00 2.82 -3.839869596e+00 -3.839869596e+00 2.84 -3.789364725e+00 -3.789364725e+00 2.86 -3.735411502e+00 -3.735411502e+00 2.88 -3.678232633e+00 -3.678232633e+00 2.90 -3.618070350e+00 -3.618070350e+00 2.92 -3.555181086e+00 -3.555181086e+00 2.94 -3.489830794e+00 -3.489830794e+00 2.96 -3.422291495e+00 -3.422291495e+00 2.98 -3.352839242e+00 -3.352839242e+00 3.00 -3.281753048e+00 -3.281753048e+00 3.02 -3.209313791e+00 -3.209313791e+00 3.04 -3.135801940e+00 -3.135801940e+00 3.06 -3.061493336e+00 -3.061493336e+00 3.08 -2.986653097e+00 -2.986653097e+00 3.10 -2.911528744e+00 -2.911528744e+00 3.12 -2.836344285e+00 -2.836344285e+00 3.14 -2.761296946e+00 -2.761296946e+00 3.16 -2.686557513e+00 -2.686557513e+00 3.18 -2.612274143e+00 -2.612274143e+00 3.20 -2.538578497e+00 -2.538578497e+00 3.22 -2.465592555e+00 -2.465592555e+00 3.24 -2.393434513e+00 -2.393434513e+00 3.26 -2.322222600e+00 -2.322222600e+00 3.28 -2.252076295e+00 -2.252076295e+00 3.30 -2.183115049e+00 -2.183115049e+00 3.32 -2.115455057e+00 -2.115455057e+00 3.34 -2.049204918e+00 -2.049204918e+00 3.36 -1.984461089e+00 -1.984461089e+00 3.38 -1.921303915e+00 -1.921303915e+00 3.40 -1.859794800e+00 -1.859794800e+00 3.42 -1.799974804e+00 -1.799974804e+00 3.44 -1.741864669e+00 -1.741864669e+00 3.46 -1.685466063e+00 -1.685466063e+00 3.48 -1.630763731e+00 -1.630763731e+00 3.50 -1.577728173e+00 -1.577728173e+00 3.52 -1.526318519e+00 -1.526318519e+00 3.54 -1.476485346e+00 -1.476485346e+00 3.56 -1.428173262e+00 -1.428173262e+00 3.58 -1.381323176e+00 -1.381323176e+00 3.60 -1.335874236e+00 -1.335874236e+00 3.62 -1.291765467e+00 -1.291765467e+00 3.64 -1.248937183e+00 -1.248937183e+00 3.66 -1.207332218e+00 -1.207332218e+00 3.68 -1.166897054e+00 -1.166897054e+00 3.70 -1.127582861e+00 -1.127582861e+00 3.72 -1.089346451e+00 -1.089346451e+00 3.74 -1.052151075e+00 -1.052151075e+00 3.76 -1.015966993e+00 -1.015966993e+00 3.78 -9.807716649e-01 -9.807716649e-01 3.80 -9.465494500e-01 -9.465494500e-01 3.82 -9.132907169e-01 -9.132907169e-01 3.84 -8.809903514e-01 -8.809903514e-01 3.86 -8.496457501e-01 -8.496457501e-01 3.88 -8.192545020e-01 -8.192545020e-01 3.90 -7.898120395e-01 -7.898120395e-01 3.92 -7.613095654e-01 -7.613095654e-01 3.94 -7.337325220e-01 -7.337325220e-01 3.96 -7.070597547e-01 -7.070597547e-01 3.98 -6.812634200e-01 -6.812634200e-01 4.00 -6.563095471e-01 -6.563095471e-01 4.02 -6.321590972e-01 -6.321590972e-01 4.04 -6.087693329e-01 -6.087693329e-01 4.06 -5.860953205e-01 -5.860953205e-01 4.08 -5.640914325e-01 -5.640914325e-01 4.10 -5.427127628e-01 -5.427127628e-01 4.12 -5.219164247e-01 -5.219164247e-01 4.14 -5.016626945e-01 -5.016626945e-01 4.16 -4.819160400e-01 -4.819160400e-01 4.18 -4.626460071e-01 -4.626460071e-01 4.20 -4.438279646e-01 -4.438279646e-01 4.22 -4.254436795e-01 -4.254436795e-01 4.24 -4.074816809e-01 -4.074816809e-01 4.26 -3.899373637e-01 -3.899373637e-01 4.28 -3.728127905e-01 -3.728127905e-01 4.30 -3.561161624e-01 -3.561161624e-01 4.32 -3.398609592e-01 -3.398609592e-01 4.34 -3.240647820e-01 -3.240647820e-01 4.36 -3.087479583e-01 -3.087479583e-01 4.38 -2.939319961e-01 -2.939319961e-01 4.40 -2.796379791e-01 -2.796379791e-01 4.42 -2.658850002e-01 -2.658850002e-01 4.44 -2.526887180e-01 -2.526887180e-01 4.46 -2.400601163e-01 -2.400601163e-01 4.48 -2.280045286e-01 -2.280045286e-01 4.50 -2.165209829e-01 -2.165209829e-01 4.52 -2.056019001e-01 -2.056019001e-01 4.54 -1.952331588e-01 -1.952331588e-01 4.56 -1.853945105e-01 -1.853945105e-01 4.58 -1.760603001e-01 -1.760603001e-01 4.60 -1.672004225e-01 -1.672004225e-01 4.62 -1.587814361e-01 -1.587814361e-01 4.64 -1.507677432e-01 -1.507677432e-01 4.66 -1.431224510e-01 -1.431224510e-01 4.68 -1.358089660e-01 -1.358089660e-01 4.70 -1.287923323e-01 -1.287923323e-01 4.72 -1.220393789e-01 -1.220393789e-01 4.74 -1.155195415e-01 -1.155195415e-01 4.76 -1.092055362e-01 -1.092055362e-01 4.78 -1.030738975e-01 -1.030738975e-01 4.80 -9.710539239e-02 -9.710539239e-02 4.82 -9.128532493e-02 -9.128532493e-02 4.84 -8.560371238e-02 -8.560371238e-02 4.86 -8.005534328e-02 -8.005534328e-02 4.88 -7.463968314e-02 -7.463968314e-02 4.90 -6.936061506e-02 -6.936061506e-02 4.92 -6.422599916e-02 -6.422599916e-02 4.94 -5.924704588e-02 -5.924704588e-02 4.96 -5.443751472e-02 -5.443751472e-02 4.98 -4.981276946e-02 -4.981276946e-02 5.00 -4.538874070e-02 -4.538874070e-02 5.02 -4.118086323e-02 -4.118086323e-02 5.04 -3.720306423e-02 -3.720306423e-02 5.06 -3.346687788e-02 -3.346687788e-02 5.08 -2.998075038e-02 -2.998075038e-02 5.10 -2.674958042e-02 -2.674958042e-02 5.12 -2.377451004e-02 -2.377451004e-02 5.14 -2.105296251e-02 -2.105296251e-02 5.16 -1.857889725e-02 -1.857889725e-02 5.18 -1.634323059e-02 -1.634323059e-02 5.20 -1.433433157e-02 -1.433433157e-02 5.22 -1.253821480e-02 -1.253821480e-02 5.24 -1.094024615e-02 -1.094024615e-02 5.26 -9.525113685e-03 -9.525113685e-03 5.28 -8.277104686e-03 -8.277104686e-03 5.30 -7.180576740e-03 -7.180576740e-03 5.32 -6.220328877e-03 -6.220328877e-03 5.34 -5.381876998e-03 -5.381876998e-03 5.36 -4.651643343e-03 -4.651643343e-03 5.38 -4.017072572e-03 -4.017072572e-03 5.40 -3.466688061e-03 -3.466688061e-03 5.42 -2.990101594e-03 -2.990101594e-03 5.44 -2.577988399e-03 -2.577988399e-03 5.46 -2.222037829e-03 -2.222037829e-03 5.48 -1.914888142e-03 -1.914888142e-03 5.50 -1.650052107e-03 -1.650052107e-03 5.52 -1.421838564e-03 -1.421838564e-03 5.54 -1.225273710e-03 -1.225273710e-03 5.56 -1.056024734e-03 -1.056024734e-03 5.58 -9.103275842e-04 -9.103275842e-04 5.60 -7.849198957e-04 -7.849198957e-04 5.62 -6.769796486e-04 -6.769796486e-04 5.64 -5.840697119e-04 -5.840697119e-04 5.66 -5.040881939e-04 -5.040881939e-04 5.68 -4.352243340e-04 -4.352243340e-04 5.70 -3.759195732e-04 -3.759195732e-04 5.72 -3.248333765e-04 -3.248333765e-04 5.74 -2.808133637e-04 -2.808133637e-04 5.76 -2.428692996e-04 -2.428692996e-04 5.78 -2.101505186e-04 -2.101505186e-04 5.80 -1.819263789e-04 -1.819263789e-04 5.82 -1.575693768e-04 -1.575693768e-04 5.84 -1.365405863e-04 -1.365405863e-04 5.86 -1.183771205e-04 -1.183771205e-04 5.88 -1.026813487e-04 -1.026813487e-04 5.90 -8.911163156e-05 -8.911163156e-05 5.92 -7.737436671e-05 -7.737436671e-05 5.94 -6.721716425e-05 -6.721716425e-05 5.96 -5.842299356e-05 -5.842299356e-05 5.98 -5.080516524e-05 -5.080516524e-05 6.00 -4.420302979e-05 -4.420302979e-05