# 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 = AgMoW2 # 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 4.064202659e+02 4.064202659e+02 1.30 3.756215633e+02 3.756215633e+02 1.32 3.472111459e+02 3.472111459e+02 1.34 3.209814522e+02 3.209814522e+02 1.36 2.967385317e+02 2.967385317e+02 1.38 2.743039353e+02 2.743039353e+02 1.40 2.535175912e+02 2.535175912e+02 1.42 2.342392525e+02 2.342392525e+02 1.44 2.163473630e+02 2.163473630e+02 1.46 1.997359859e+02 1.997359859e+02 1.48 1.843113969e+02 1.843113969e+02 1.50 1.699895601e+02 1.699895601e+02 1.52 1.566946592e+02 1.566946592e+02 1.54 1.443581724e+02 1.443581724e+02 1.56 1.329179664e+02 1.329179664e+02 1.58 1.223171733e+02 1.223171733e+02 1.60 1.125028796e+02 1.125028796e+02 1.62 1.034248211e+02 1.034248211e+02 1.64 9.503432699e+01 9.503432699e+01 1.66 8.728370049e+01 8.728370049e+01 1.68 8.012608798e+01 8.012608798e+01 1.70 7.351574208e+01 7.351574208e+01 1.72 6.740848929e+01 6.740848929e+01 1.74 6.176222262e+01 6.176222262e+01 1.76 5.653733819e+01 5.653733819e+01 1.78 5.169712675e+01 5.169712675e+01 1.80 4.720814475e+01 4.720814475e+01 1.82 4.304053482e+01 4.304053482e+01 1.84 3.916820375e+01 3.916820375e+01 1.86 3.556938687e+01 3.556938687e+01 1.88 3.222592344e+01 3.222592344e+01 1.90 2.912164434e+01 2.912164434e+01 1.92 2.624427010e+01 2.624427010e+01 1.94 2.358168083e+01 2.358168083e+01 1.96 2.112115903e+01 2.112115903e+01 1.98 1.885004589e+01 1.885004589e+01 2.00 1.675596955e+01 1.675596955e+01 2.02 1.482679091e+01 1.482679091e+01 2.04 1.305059729e+01 1.305059729e+01 2.06 1.141571349e+01 1.141571349e+01 2.08 9.910733134e+00 9.910733134e+00 2.10 8.524592587e+00 8.524592587e+00 2.12 7.246703433e+00 7.246703433e+00 2.14 6.067133787e+00 6.067133787e+00 2.16 4.976800221e+00 4.976800221e+00 2.18 3.967619054e+00 3.967619054e+00 2.20 3.032575310e+00 3.032575310e+00 2.22 2.165693836e+00 2.165693836e+00 2.24 1.361926245e+00 1.361926245e+00 2.26 6.169866332e-01 6.169866332e-01 2.28 -7.282649352e-02 -7.282649352e-02 2.30 -7.107923503e-01 -7.107923503e-01 2.32 -1.299897366e+00 -1.299897366e+00 2.34 -1.842927441e+00 -1.842927441e+00 2.36 -2.342526454e+00 -2.342526454e+00 2.38 -2.801228179e+00 -2.801228179e+00 2.40 -3.221469422e+00 -3.221469422e+00 2.42 -3.605591229e+00 -3.605591229e+00 2.44 -3.955833480e+00 -3.955833480e+00 2.46 -4.274326710e+00 -4.274326710e+00 2.48 -4.563082688e+00 -4.563082688e+00 2.50 -4.823850279e+00 -4.823850279e+00 2.52 -5.058413991e+00 -5.058413991e+00 2.54 -5.268560247e+00 -5.268560247e+00 2.56 -5.455924593e+00 -5.455924593e+00 2.58 -5.622001916e+00 -5.622001916e+00 2.60 -5.768158540e+00 -5.768158540e+00 2.62 -5.895644930e+00 -5.895644930e+00 2.64 -6.005607750e+00 -6.005607750e+00 2.66 -6.098925266e+00 -6.098925266e+00 2.68 -6.175949470e+00 -6.175949470e+00 2.70 -6.236999445e+00 -6.236999445e+00 2.72 -6.282431930e+00 -6.282431930e+00 2.74 -6.312559263e+00 -6.312559263e+00 2.76 -6.327924261e+00 -6.327924261e+00 2.78 -6.329129203e+00 -6.329129203e+00 2.80 -6.316787921e+00 -6.316787921e+00 2.82 -6.291524372e+00 -6.291524372e+00 2.84 -6.253974470e+00 -6.253974470e+00 2.86 -6.204791982e+00 -6.204791982e+00 2.88 -6.144658232e+00 -6.144658232e+00 2.90 -6.074259625e+00 -6.074259625e+00 2.92 -5.994184863e+00 -5.994184863e+00 2.94 -5.905071966e+00 -5.905071966e+00 2.96 -5.807654656e+00 -5.807654656e+00 2.98 -5.702748306e+00 -5.702748306e+00 3.00 -5.591225744e+00 -5.591225744e+00 3.02 -5.473983860e+00 -5.473983860e+00 3.04 -5.351903973e+00 -5.351903973e+00 3.06 -5.225810530e+00 -5.225810530e+00 3.08 -5.096435105e+00 -5.096435105e+00 3.10 -4.964529688e+00 -4.964529688e+00 3.12 -4.830461094e+00 -4.830461094e+00 3.14 -4.694327077e+00 -4.694327077e+00 3.16 -4.556147797e+00 -4.556147797e+00 3.18 -4.415872966e+00 -4.415872966e+00 3.20 -4.273398544e+00 -4.273398544e+00 3.22 -4.128602837e+00 -4.128602837e+00 3.24 -3.981376404e+00 -3.981376404e+00 3.26 -3.831632194e+00 -3.831632194e+00 3.28 -3.679335080e+00 -3.679335080e+00 3.30 -3.524531418e+00 -3.524531418e+00 3.32 -3.367375640e+00 -3.367375640e+00 3.34 -3.208152276e+00 -3.208152276e+00 3.36 -3.047291575e+00 -3.047291575e+00 3.38 -2.885376800e+00 -2.885376800e+00 3.40 -2.723141367e+00 -2.723141367e+00 3.42 -2.561454576e+00 -2.561454576e+00 3.44 -2.401295604e+00 -2.401295604e+00 3.46 -2.243716727e+00 -2.243716727e+00 3.48 -2.089798191e+00 -2.089798191e+00 3.50 -1.940598428e+00 -1.940598428e+00 3.52 -1.797104154e+00 -1.797104154e+00 3.54 -1.660185105e+00 -1.660185105e+00 3.56 -1.530557572e+00 -1.530557572e+00 3.58 -1.408759702e+00 -1.408759702e+00 3.60 -1.295139970e+00 -1.295139970e+00 3.62 -1.189858510e+00 -1.189858510e+00 3.64 -1.092899637e+00 -1.092899637e+00 3.66 -1.004092894e+00 -1.004092894e+00 3.68 -9.231395291e-01 -9.231395291e-01 3.70 -8.496413941e-01 -8.496413941e-01 3.72 -7.831296526e-01 -7.831296526e-01 3.74 -7.230913370e-01 -7.230913370e-01 3.76 -6.689924706e-01 -6.689924706e-01 3.78 -6.202971102e-01 -6.202971102e-01 3.80 -5.764821737e-01 -5.764821737e-01 3.82 -5.370482871e-01 -5.370482871e-01 3.84 -5.015271129e-01 -5.015271129e-01 3.86 -4.694857336e-01 -4.694857336e-01 3.88 -4.405286885e-01 -4.405286885e-01 3.90 -4.142982285e-01 -4.142982285e-01 3.92 -3.904732871e-01 -3.904732871e-01 3.94 -3.687675851e-01 -3.687675851e-01 3.96 -3.489271985e-01 -3.489271985e-01 3.98 -3.307278538e-01 -3.307278538e-01 4.00 -3.139721359e-01 -3.139721359e-01 4.02 -2.984867471e-01 -2.984867471e-01 4.04 -2.841199044e-01 -2.841199044e-01 4.06 -2.707389443e-01 -2.707389443e-01 4.08 -2.582281587e-01 -2.582281587e-01 4.10 -2.464867745e-01 -2.464867745e-01 4.12 -2.354273105e-01 -2.354273105e-01 4.14 -2.249746479e-01 -2.249746479e-01 4.16 -2.150642887e-01 -2.150642887e-01 4.18 -2.056413417e-01 -2.056413417e-01 4.20 -1.966596642e-01 -1.966596642e-01 4.22 -1.880810788e-01 -1.880810788e-01 4.24 -1.798746204e-01 -1.798746204e-01 4.26 -1.720157692e-01 -1.720157692e-01 4.28 -1.644856297e-01 -1.644856297e-01 4.30 -1.572700313e-01 -1.572700313e-01 4.32 -1.503585492e-01 -1.503585492e-01 4.34 -1.437434584e-01 -1.437434584e-01 4.36 -1.374186749e-01 -1.374186749e-01 4.38 -1.313787436e-01 -1.313787436e-01 4.40 -1.256179415e-01 -1.256179415e-01 4.42 -1.201295709e-01 -1.201295709e-01 4.44 -1.149054687e-01 -1.149054687e-01 4.46 -1.099357494e-01 -1.099357494e-01 4.48 -1.052085811e-01 -1.052085811e-01 4.50 -1.007107115e-01 -1.007107115e-01 4.52 -9.642775016e-02 -9.642775016e-02 4.54 -9.234426777e-02 -9.234426777e-02 4.56 -8.844421394e-02 -8.844421394e-02 4.58 -8.471131447e-02 -8.471131447e-02 4.60 -8.112942329e-02 -8.112942329e-02 4.62 -7.768281633e-02 -7.768281633e-02 4.64 -7.435642644e-02 -7.435642644e-02 4.66 -7.113602612e-02 -7.113602612e-02 4.68 -6.800836937e-02 -6.800836937e-02 4.70 -6.496130558e-02 -6.496130558e-02 4.72 -6.198387811e-02 -6.198387811e-02 4.74 -5.906641792e-02 -5.906641792e-02 4.76 -5.620063968e-02 -5.620063968e-02 4.78 -5.337974360e-02 -5.337974360e-02 4.80 -5.059852173e-02 -5.059852173e-02 4.82 -4.785346665e-02 -4.785346665e-02 4.84 -4.514286341e-02 -4.514286341e-02 4.86 -4.246686371e-02 -4.246686371e-02 4.88 -3.982751557e-02 -3.982751557e-02 4.90 -3.722873511e-02 -3.722873511e-02 4.92 -3.467620313e-02 -3.467620313e-02 4.94 -3.217717404e-02 -3.217717404e-02 4.96 -2.974019180e-02 -2.974019180e-02 4.98 -2.737471823e-02 -2.737471823e-02 5.00 -2.509068812e-02 -2.509068812e-02 5.02 -2.289801701e-02 -2.289801701e-02 5.04 -2.080609627e-02 -2.080609627e-02 5.06 -1.882331378e-02 -1.882331378e-02 5.08 -1.695653232e-02 -1.695653232e-02 5.10 -1.521079118e-02 -1.521079118e-02 5.12 -1.358952408e-02 -1.358952408e-02 5.14 -1.209411468e-02 -1.209411468e-02 5.16 -1.072392582e-02 -1.072392582e-02 5.18 -9.476453606e-03 -9.476453606e-03 5.20 -8.347562737e-03 -8.347562737e-03 5.22 -7.331774570e-03 -7.331774570e-03 5.24 -6.422579749e-03 -6.422579749e-03 5.26 -5.612750476e-03 -5.612750476e-03 5.28 -4.894632805e-03 -4.894632805e-03 5.30 -4.260405286e-03 -4.260405286e-03 5.32 -3.702296184e-03 -3.702296184e-03 5.34 -3.212756472e-03 -3.212756472e-03 5.36 -2.784589683e-03 -2.784589683e-03 5.38 -2.411042356e-03 -2.411042356e-03 5.40 -2.085860354e-03 -2.085860354e-03 5.42 -1.803316990e-03 -1.803316990e-03 5.44 -1.558218893e-03 -1.558218893e-03 5.46 -1.345895098e-03 -1.345895098e-03 5.48 -1.162174165e-03 -1.162174165e-03 5.50 -1.003353341e-03 -1.003353341e-03 5.52 -8.661629986e-04 -8.661629986e-04 5.54 -7.477288462e-04 -7.477288462e-04 5.56 -6.455337666e-04 -6.455337666e-04 5.58 -5.573806074e-04 -5.573806074e-04 5.60 -4.813568197e-04 -4.813568197e-04 5.62 -4.158014963e-04 -4.158014963e-04 5.64 -3.592751125e-04 -3.592751125e-04 5.66 -3.105320812e-04 -3.105320812e-04 5.68 -2.684961037e-04 -2.684961037e-04 5.70 -2.322382103e-04 -2.322382103e-04 5.72 -2.009573243e-04 -2.009573243e-04 5.74 -1.739631564e-04 -1.739631564e-04 5.76 -1.506612165e-04 -1.506612165e-04 5.78 -1.305397331e-04 -1.305397331e-04 5.80 -1.131582735e-04 -1.131582735e-04 5.82 -9.813786925e-05 -9.813786925e-05 5.84 -8.515246823e-05 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