# 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 = AuPtZr2 # 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 4.712459653e+02 4.712459653e+02 1.30 4.406387774e+02 4.406387774e+02 1.32 4.121189261e+02 4.121189261e+02 1.34 3.855265479e+02 3.855265479e+02 1.36 3.607164240e+02 3.607164240e+02 1.38 3.375551834e+02 3.375551834e+02 1.40 3.159193270e+02 3.159193270e+02 1.42 2.956960608e+02 2.956960608e+02 1.44 2.767842465e+02 2.767842465e+02 1.46 2.590922035e+02 2.590922035e+02 1.48 2.425342739e+02 2.425342739e+02 1.50 2.270299495e+02 2.270299495e+02 1.52 2.125052344e+02 2.125052344e+02 1.54 1.988929692e+02 1.988929692e+02 1.56 1.861314964e+02 1.861314964e+02 1.58 1.741622086e+02 1.741622086e+02 1.60 1.629282273e+02 1.629282273e+02 1.62 1.523746894e+02 1.523746894e+02 1.64 1.424504014e+02 1.424504014e+02 1.66 1.331093029e+02 1.331093029e+02 1.68 1.243112956e+02 1.243112956e+02 1.70 1.160219557e+02 1.160219557e+02 1.72 1.082113108e+02 1.082113108e+02 1.74 1.008520574e+02 1.008520574e+02 1.76 9.391797941e+01 9.391797941e+01 1.78 8.738312729e+01 8.738312729e+01 1.80 8.122205364e+01 8.122205364e+01 1.82 7.541048385e+01 7.541048385e+01 1.84 6.992634982e+01 6.992634982e+01 1.86 6.475027653e+01 6.475027653e+01 1.88 5.986527055e+01 5.986527055e+01 1.90 5.525575913e+01 5.525575913e+01 1.92 5.090669987e+01 5.090669987e+01 1.94 4.680292731e+01 4.680292731e+01 1.96 4.292966169e+01 4.292966169e+01 1.98 3.927288723e+01 3.927288723e+01 2.00 3.582001270e+01 3.582001270e+01 2.02 3.259456212e+01 3.259456212e+01 2.04 2.960092837e+01 2.960092837e+01 2.06 2.682229935e+01 2.682229935e+01 2.08 2.424365227e+01 2.424365227e+01 2.10 2.185154734e+01 2.185154734e+01 2.12 1.963372385e+01 1.963372385e+01 2.14 1.757873412e+01 1.757873412e+01 2.16 1.567560293e+01 1.567560293e+01 2.18 1.391367060e+01 1.391367060e+01 2.20 1.228264745e+01 1.228264745e+01 2.22 1.077275104e+01 1.077275104e+01 2.24 9.374854783e+00 9.374854783e+00 2.26 8.080583495e+00 8.080583495e+00 2.28 6.882331549e+00 6.882331549e+00 2.30 5.773255717e+00 5.773255717e+00 2.32 4.747229464e+00 4.747229464e+00 2.34 3.798704333e+00 3.798704333e+00 2.36 2.922651353e+00 2.922651353e+00 2.38 2.114455934e+00 2.114455934e+00 2.40 1.369838204e+00 1.369838204e+00 2.42 6.847805322e-01 6.847805322e-01 2.44 5.548160317e-02 5.548160317e-02 2.46 -5.216911301e-01 -5.216911301e-01 2.48 -1.050228354e+00 -1.050228354e+00 2.50 -1.533497026e+00 -1.533497026e+00 2.52 -1.974750290e+00 -1.974750290e+00 2.54 -2.377127770e+00 -2.377127770e+00 2.56 -2.743641440e+00 -2.743641440e+00 2.58 -3.077145556e+00 -3.077145556e+00 2.60 -3.380298013e+00 -3.380298013e+00 2.62 -3.655527575e+00 -3.655527575e+00 2.64 -3.905015907e+00 -3.905015907e+00 2.66 -4.130707333e+00 -4.130707333e+00 2.68 -4.334328812e+00 -4.334328812e+00 2.70 -4.517423150e+00 -4.517423150e+00 2.72 -4.681382036e+00 -4.681382036e+00 2.74 -4.827474110e+00 -4.827474110e+00 2.76 -4.956865443e+00 -4.956865443e+00 2.78 -5.070688515e+00 -5.070688515e+00 2.80 -5.169994612e+00 -5.169994612e+00 2.82 -5.255598002e+00 -5.255598002e+00 2.84 -5.328275235e+00 -5.328275235e+00 2.86 -5.389290376e+00 -5.389290376e+00 2.88 -5.440048756e+00 -5.440048756e+00 2.90 -5.480997521e+00 -5.480997521e+00 2.92 -5.512598636e+00 -5.512598636e+00 2.94 -5.535345493e+00 -5.535345493e+00 2.96 -5.549713186e+00 -5.549713186e+00 2.98 -5.556030626e+00 -5.556030626e+00 3.00 -5.554645462e+00 -5.554645462e+00 3.02 -5.545952964e+00 -5.545952964e+00 3.04 -5.530369933e+00 -5.530369933e+00 3.06 -5.508329749e+00 -5.508329749e+00 3.08 -5.480244080e+00 -5.480244080e+00 3.10 -5.446511564e+00 -5.446511564e+00 3.12 -5.407507809e+00 -5.407507809e+00 3.14 -5.363599352e+00 -5.363599352e+00 3.16 -5.315127678e+00 -5.315127678e+00 3.18 -5.262427200e+00 -5.262427200e+00 3.20 -5.205840045e+00 -5.205840045e+00 3.22 -5.145737303e+00 -5.145737303e+00 3.24 -5.082400065e+00 -5.082400065e+00 3.26 -5.016110223e+00 -5.016110223e+00 3.28 -4.947162633e+00 -4.947162633e+00 3.30 -4.875863914e+00 -4.875863914e+00 3.32 -4.802527842e+00 -4.802527842e+00 3.34 -4.727467086e+00 -4.727467086e+00 3.36 -4.650982573e+00 -4.650982573e+00 3.38 -4.573352971e+00 -4.573352971e+00 3.40 -4.494824321e+00 -4.494824321e+00 3.42 -4.415610100e+00 -4.415610100e+00 3.44 -4.335885574e+00 -4.335885574e+00 3.46 -4.255799598e+00 -4.255799598e+00 3.48 -4.175477959e+00 -4.175477959e+00 3.50 -4.095028683e+00 -4.095028683e+00 3.52 -4.014546445e+00 -4.014546445e+00 3.54 -3.934115654e+00 -3.934115654e+00 3.56 -3.853812255e+00 -3.853812255e+00 3.58 -3.773704493e+00 -3.773704493e+00 3.60 -3.693853035e+00 -3.693853035e+00 3.62 -3.614310774e+00 -3.614310774e+00 3.64 -3.535122660e+00 -3.535122660e+00 3.66 -3.456325803e+00 -3.456325803e+00 3.68 -3.377950055e+00 -3.377950055e+00 3.70 -3.300019210e+00 -3.300019210e+00 3.72 -3.222552910e+00 -3.222552910e+00 3.74 -3.145569222e+00 -3.145569222e+00 3.76 -3.069087773e+00 -3.069087773e+00 3.78 -2.993133123e+00 -2.993133123e+00 3.80 -2.917738673e+00 -2.917738673e+00 3.82 -2.842968629e+00 -2.842968629e+00 3.84 -2.768917831e+00 -2.768917831e+00 3.86 -2.695686081e+00 -2.695686081e+00 3.88 -2.623374818e+00 -2.623374818e+00 3.90 -2.552083341e+00 -2.552083341e+00 3.92 -2.481900680e+00 -2.481900680e+00 3.94 -2.412913973e+00 -2.412913973e+00 3.96 -2.345183196e+00 -2.345183196e+00 3.98 -2.278753820e+00 -2.278753820e+00 4.00 -2.213652700e+00 -2.213652700e+00 4.02 -2.149889989e+00 -2.149889989e+00 4.04 -2.087462596e+00 -2.087462596e+00 4.06 -2.026358524e+00 -2.026358524e+00 4.08 -1.966561408e+00 -1.966561408e+00 4.10 -1.908047439e+00 -1.908047439e+00 4.12 -1.850819246e+00 -1.850819246e+00 4.14 -1.794860218e+00 -1.794860218e+00 4.16 -1.740169719e+00 -1.740169719e+00 4.18 -1.686754195e+00 -1.686754195e+00 4.20 -1.634626235e+00 -1.634626235e+00 4.22 -1.583802729e+00 -1.583802729e+00 4.24 -1.534302375e+00 -1.534302375e+00 4.26 -1.486142840e+00 -1.486142840e+00 4.28 -1.439337937e+00 -1.439337937e+00 4.30 -1.393895121e+00 -1.393895121e+00 4.32 -1.349813556e+00 -1.349813556e+00 4.34 -1.307082884e+00 -1.307082884e+00 4.36 -1.265682747e+00 -1.265682747e+00 4.38 -1.225582995e+00 -1.225582995e+00 4.40 -1.186744454e+00 -1.186744454e+00 4.42 -1.149120095e+00 -1.149120095e+00 4.44 -1.112656448e+00 -1.112656448e+00 4.46 -1.077295108e+00 -1.077295108e+00 4.48 -1.042974225e+00 -1.042974225e+00 4.50 -1.009629909e+00 -1.009629909e+00 4.52 -9.771975041e-01 -9.771975041e-01 4.54 -9.456127296e-01 -9.456127296e-01 4.56 -9.148127122e-01 -9.148127122e-01 4.58 -8.847369347e-01 -8.847369347e-01 4.60 -8.553281468e-01 -8.553281468e-01 4.62 -8.265332745e-01 -8.265332745e-01 4.64 -7.983043528e-01 -7.983043528e-01 4.66 -7.705994930e-01 -7.705994930e-01 4.68 -7.433838692e-01 -7.433838692e-01 4.70 -7.166306837e-01 -7.166306837e-01 4.72 -6.903220453e-01 -6.903220453e-01 4.74 -6.644496702e-01 -6.644496702e-01 4.76 -6.390153018e-01 -6.390153018e-01 4.78 -6.140307423e-01 -6.140307423e-01 4.80 -5.895113845e-01 -5.895113845e-01 4.82 -5.655003377e-01 -5.655003377e-01 4.84 -5.420275560e-01 -5.420275560e-01 4.86 -5.191353421e-01 -5.191353421e-01 4.88 -4.968687275e-01 -4.968687275e-01 4.90 -4.752728991e-01 -4.752728991e-01 4.92 -4.543906210e-01 -4.543906210e-01 4.94 -4.342598522e-01 -4.342598522e-01 4.96 -4.149117334e-01 -4.149117334e-01 4.98 -3.963690700e-01 -3.963690700e-01 5.00 -3.786453784e-01 -3.786453784e-01 5.02 -3.617445026e-01 -3.617445026e-01 5.04 -3.456607580e-01 -3.456607580e-01 5.06 -3.303795197e-01 -3.303795197e-01 5.08 -3.158781579e-01 -3.158781579e-01 5.10 -3.021272102e-01 -3.021272102e-01 5.12 -2.890916939e-01 -2.890916939e-01 5.14 -2.767324684e-01 -2.767324684e-01 5.16 -2.650075797e-01 -2.650075797e-01 5.18 -2.538735320e-01 -2.538735320e-01 5.20 -2.432864547e-01 -2.432864547e-01 5.22 -2.332031403e-01 -2.332031403e-01 5.24 -2.235819487e-01 -2.235819487e-01 5.26 -2.143835759e-01 -2.143835759e-01 5.28 -2.055716928e-01 -2.055716928e-01 5.30 -1.971134599e-01 -1.971134599e-01 5.32 -1.889799228e-01 -1.889799228e-01 5.34 -1.811462873e-01 -1.811462873e-01 5.36 -1.735920709e-01 -1.735920709e-01 5.38 -1.663011208e-01 -1.663011208e-01 5.40 -1.592614874e-01 -1.592614874e-01 5.42 -1.524651442e-01 -1.524651442e-01 5.44 -1.459075525e-01 -1.459075525e-01 5.46 -1.395870790e-01 -1.395870790e-01 5.48 -1.335042896e-01 -1.335042896e-01 5.50 -1.276611587e-01 -1.276611587e-01 5.52 -1.220602447e-01 -1.220602447e-01 5.54 -1.167038950e-01 -1.167038950e-01 5.56 -1.115935358e-01 -1.115935358e-01 5.58 -1.067291005e-01 -1.067291005e-01 5.60 -1.021085977e-01 -1.021085977e-01 5.62 -9.772761013e-02 -9.772761013e-02 5.64 -9.358007125e-02 -9.358007125e-02 5.66 -8.965798473e-02 -8.965798473e-02 5.68 -8.595151590e-02 -8.595151590e-02 5.70 -8.244934569e-02 -8.244934569e-02 5.72 -7.913906041e-02 -7.913906041e-02 5.74 -7.600754078e-02 -7.600754078e-02 5.76 -7.304132240e-02 -7.304132240e-02 5.78 -7.022690934e-02 -7.022690934e-02 5.80 -6.755103146e-02 -6.755103146e-02 5.82 -6.500084318e-02 -6.500084318e-02 5.84 -6.256406736e-02 -6.256406736e-02 5.86 -6.022909074e-02 -6.022909074e-02 5.88 -5.798501997e-02 -5.798501997e-02 5.90 -5.582170728e-02 -5.582170728e-02 5.92 -5.372975487e-02 -5.372975487e-02 5.94 -5.170050615e-02 -5.170050615e-02 5.96 -4.972603079e-02 -4.972603079e-02 5.98 -4.779910939e-02 -4.779910939e-02 6.00 -4.591322219e-02 -4.591322219e-02