# 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 = AgAlPb2 # 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 2.879515149e+02 2.879515149e+02 1.30 2.690245021e+02 2.690245021e+02 1.32 2.514073810e+02 2.514073810e+02 1.34 2.349973928e+02 2.349973928e+02 1.36 2.197001769e+02 2.197001769e+02 1.38 2.054287041e+02 2.054287041e+02 1.40 1.921031844e+02 1.921031844e+02 1.42 1.796515747e+02 1.796515747e+02 1.44 1.680097685e+02 1.680097685e+02 1.46 1.571210578e+02 1.571210578e+02 1.48 1.469348189e+02 1.469348189e+02 1.50 1.374046035e+02 1.374046035e+02 1.52 1.284863582e+02 1.284863582e+02 1.54 1.201376735e+02 1.201376735e+02 1.56 1.123180007e+02 1.123180007e+02 1.58 1.049892541e+02 1.049892541e+02 1.60 9.811626962e+01 9.811626962e+01 1.62 9.166707947e+01 9.166707947e+01 1.64 8.561298391e+01 8.561298391e+01 1.66 7.992842714e+01 7.992842714e+01 1.68 7.459657888e+01 7.459657888e+01 1.70 6.960634615e+01 6.960634615e+01 1.72 6.493802670e+01 6.493802670e+01 1.74 6.057097151e+01 6.057097151e+01 1.76 5.648466268e+01 5.648466268e+01 1.78 5.265954623e+01 5.265954623e+01 1.80 4.907728492e+01 4.907728492e+01 1.82 4.572092980e+01 4.572092980e+01 1.84 4.257498056e+01 4.257498056e+01 1.86 3.962532345e+01 3.962532345e+01 1.88 3.685909422e+01 3.685909422e+01 1.90 3.426449879e+01 3.426449879e+01 1.92 3.183064991e+01 3.183064991e+01 1.94 2.954748961e+01 2.954748961e+01 1.96 2.740575598e+01 2.740575598e+01 1.98 2.539696006e+01 2.539696006e+01 2.00 2.351330076e+01 2.351330076e+01 2.02 2.174751510e+01 2.174751510e+01 2.04 2.009271477e+01 2.009271477e+01 2.06 1.854228010e+01 1.854228010e+01 2.08 1.708983929e+01 1.708983929e+01 2.10 1.572929780e+01 1.572929780e+01 2.12 1.445488875e+01 1.445488875e+01 2.14 1.326119912e+01 1.326119912e+01 2.16 1.214317471e+01 1.214317471e+01 2.18 1.109610955e+01 1.109610955e+01 2.20 1.011562519e+01 1.011562519e+01 2.22 9.197652951e+00 9.197652951e+00 2.24 8.338414116e+00 8.338414116e+00 2.26 7.534398880e+00 7.534398880e+00 2.28 6.782344754e+00 6.782344754e+00 2.30 6.079209824e+00 6.079209824e+00 2.32 5.422145497e+00 5.422145497e+00 2.34 4.808477922e+00 4.808477922e+00 2.36 4.235680240e+00 4.235680240e+00 2.38 3.701353031e+00 3.701353031e+00 2.40 3.203207070e+00 3.203207070e+00 2.42 2.739052164e+00 2.739052164e+00 2.44 2.306792410e+00 2.306792410e+00 2.46 1.904429283e+00 1.904429283e+00 2.48 1.530069318e+00 1.530069318e+00 2.50 1.181933759e+00 1.181933759e+00 2.52 8.583664472e-01 8.583664472e-01 2.54 5.578363897e-01 5.578363897e-01 2.56 2.789323488e-01 2.789323488e-01 2.58 2.034900488e-02 2.034900488e-02 2.60 -2.191325557e-01 -2.191325557e-01 2.62 -4.406638317e-01 -4.406638317e-01 2.64 -6.453466291e-01 -6.453466291e-01 2.66 -8.342333865e-01 -8.342333865e-01 2.68 -1.008328976e+00 -1.008328976e+00 2.70 -1.168583380e+00 -1.168583380e+00 2.72 -1.315885632e+00 -1.315885632e+00 2.74 -1.451060777e+00 -1.451060777e+00 2.76 -1.575080068e+00 -1.575080068e+00 2.78 -1.689104409e+00 -1.689104409e+00 2.80 -1.793585232e+00 -1.793585232e+00 2.82 -1.888923881e+00 -1.888923881e+00 2.84 -1.975510868e+00 -1.975510868e+00 2.86 -2.053724658e+00 -2.053724658e+00 2.88 -2.123931449e+00 -2.123931449e+00 2.90 -2.186485879e+00 -2.186485879e+00 2.92 -2.241733061e+00 -2.241733061e+00 2.94 -2.290015473e+00 -2.290015473e+00 2.96 -2.331686175e+00 -2.331686175e+00 2.98 -2.367153873e+00 -2.367153873e+00 3.00 -2.396811844e+00 -2.396811844e+00 3.02 -2.420973978e+00 -2.420973978e+00 3.04 -2.439980672e+00 -2.439980672e+00 3.06 -2.454198835e+00 -2.454198835e+00 3.08 -2.464010262e+00 -2.464010262e+00 3.10 -2.469803469e+00 -2.469803469e+00 3.12 -2.471959514e+00 -2.471959514e+00 3.14 -2.470844721e+00 -2.470844721e+00 3.16 -2.466795675e+00 -2.466795675e+00 3.18 -2.460122313e+00 -2.460122313e+00 3.20 -2.451101963e+00 -2.451101963e+00 3.22 -2.439990303e+00 -2.439990303e+00 3.24 -2.427042294e+00 -2.427042294e+00 3.26 -2.412397020e+00 -2.412397020e+00 3.28 -2.396164874e+00 -2.396164874e+00 3.30 -2.378441569e+00 -2.378441569e+00 3.32 -2.359311164e+00 -2.359311164e+00 3.34 -2.338849474e+00 -2.338849474e+00 3.36 -2.317127426e+00 -2.317127426e+00 3.38 -2.294213960e+00 -2.294213960e+00 3.40 -2.270177905e+00 -2.270177905e+00 3.42 -2.245088096e+00 -2.245088096e+00 3.44 -2.219004286e+00 -2.219004286e+00 3.46 -2.191987042e+00 -2.191987042e+00 3.48 -2.164100948e+00 -2.164100948e+00 3.50 -2.135413248e+00 -2.135413248e+00 3.52 -2.105992595e+00 -2.105992595e+00 3.54 -2.075907913e+00 -2.075907913e+00 3.56 -2.045227486e+00 -2.045227486e+00 3.58 -2.014018318e+00 -2.014018318e+00 3.60 -1.982345807e+00 -1.982345807e+00 3.62 -1.950273683e+00 -1.950273683e+00 3.64 -1.917864144e+00 -1.917864144e+00 3.66 -1.885178087e+00 -1.885178087e+00 3.68 -1.852275304e+00 -1.852275304e+00 3.70 -1.819214485e+00 -1.819214485e+00 3.72 -1.786052957e+00 -1.786052957e+00 3.74 -1.752846086e+00 -1.752846086e+00 3.76 -1.719646395e+00 -1.719646395e+00 3.78 -1.686502518e+00 -1.686502518e+00 3.80 -1.653458176e+00 -1.653458176e+00 3.82 -1.620551367e+00 -1.620551367e+00 3.84 -1.587813927e+00 -1.587813927e+00 3.86 -1.555271532e+00 -1.555271532e+00 3.88 -1.522944117e+00 -1.522944117e+00 3.90 -1.490846613e+00 -1.490846613e+00 3.92 -1.458989204e+00 -1.458989204e+00 3.94 -1.427381012e+00 -1.427381012e+00 3.96 -1.396026615e+00 -1.396026615e+00 3.98 -1.364929769e+00 -1.364929769e+00 4.00 -1.334093100e+00 -1.334093100e+00 4.02 -1.303518444e+00 -1.303518444e+00 4.04 -1.273207080e+00 -1.273207080e+00 4.06 -1.243159924e+00 -1.243159924e+00 4.08 -1.213377753e+00 -1.213377753e+00 4.10 -1.183859514e+00 -1.183859514e+00 4.12 -1.154611204e+00 -1.154611204e+00 4.14 -1.125633253e+00 -1.125633253e+00 4.16 -1.096930569e+00 -1.096930569e+00 4.18 -1.068510940e+00 -1.068510940e+00 4.20 -1.040385896e+00 -1.040385896e+00 4.22 -1.012571462e+00 -1.012571462e+00 4.24 -9.850886694e-01 -9.850886694e-01 4.26 -9.579636756e-01 -9.579636756e-01 4.28 -9.312273892e-01 -9.312273892e-01 4.30 -9.049145339e-01 -9.049145339e-01 4.32 -8.790621643e-01 -8.790621643e-01 4.34 -8.537077396e-01 -8.537077396e-01 4.36 -8.288869337e-01 -8.288869337e-01 4.38 -8.046314223e-01 -8.046314223e-01 4.40 -7.809668928e-01 -7.809668928e-01 4.42 -7.579114948e-01 -7.579114948e-01 4.44 -7.354748725e-01 -7.354748725e-01 4.46 -7.136578307e-01 -7.136578307e-01 4.48 -6.924525953e-01 -6.924525953e-01 4.50 -6.718435586e-01 -6.718435586e-01 4.52 -6.518083605e-01 -6.518083605e-01 4.54 -6.323191479e-01 -6.323191479e-01 4.56 -6.133438773e-01 -6.133438773e-01 4.58 -5.948475535e-01 -5.948475535e-01 4.60 -5.767933423e-01 -5.767933423e-01 4.62 -5.591435307e-01 -5.591435307e-01 4.64 -5.418603383e-01 -5.418603383e-01 4.66 -5.249066046e-01 -5.249066046e-01 4.68 -5.082463906e-01 -5.082463906e-01 4.70 -4.918455342e-01 -4.918455342e-01 4.72 -4.756721996e-01 -4.756721996e-01 4.74 -4.596974514e-01 -4.596974514e-01 4.76 -4.438958745e-01 -4.438958745e-01 4.78 -4.282462447e-01 -4.282462447e-01 4.80 -4.127308044e-01 -4.127308044e-01 4.82 -3.973419445e-01 -3.973419445e-01 4.84 -3.820735724e-01 -3.820735724e-01 4.86 -3.669281734e-01 -3.669281734e-01 4.88 -3.519155025e-01 -3.519155025e-01 4.90 -3.370527112e-01 -3.370527112e-01 4.92 -3.223641310e-01 -3.223641310e-01 4.94 -3.078806587e-01 -3.078806587e-01 4.96 -2.936387214e-01 -2.936387214e-01 4.98 -2.796788411e-01 -2.796788411e-01 5.00 -2.660438729e-01 -2.660438729e-01 5.02 -2.527770321e-01 -2.527770321e-01 5.04 -2.399198635e-01 -2.399198635e-01 5.06 -2.275103212e-01 -2.275103212e-01 5.08 -2.155811161e-01 -2.155811161e-01 5.10 -2.041584604e-01 -2.041584604e-01 5.12 -1.932612877e-01 -1.932612877e-01 5.14 -1.829009717e-01 -1.829009717e-01 5.16 -1.730815099e-01 -1.730815099e-01 5.18 -1.638000952e-01 -1.638000952e-01 5.20 -1.550479682e-01 -1.550479682e-01 5.22 -1.468114355e-01 -1.468114355e-01 5.24 -1.390729356e-01 -1.390729356e-01 5.26 -1.318120624e-01 -1.318120624e-01 5.28 -1.250064929e-01 -1.250064929e-01 5.30 -1.186327621e-01 -1.186327621e-01 5.32 -1.126668717e-01 -1.126668717e-01 5.34 -1.070847388e-01 -1.070847388e-01 5.36 -1.018625186e-01 -1.018625186e-01 5.38 -9.697682076e-02 -9.697682076e-02 5.40 -9.240481966e-02 -9.240481966e-02 5.42 -8.812337889e-02 -8.812337889e-02 5.44 -8.411137570e-02 -8.411137570e-02 5.46 -8.034892614e-02 -8.034892614e-02 5.48 -7.681668836e-02 -7.681668836e-02 5.50 -7.349601135e-02 -7.349601135e-02 5.52 -7.036904901e-02 -7.036904901e-02 5.54 -6.741884534e-02 -6.741884534e-02 5.56 -6.462939455e-02 -6.462939455e-02 5.58 -6.198567845e-02 -6.198567845e-02 5.60 -5.947368403e-02 -5.947368403e-02 5.62 -5.708040366e-02 -5.708040366e-02 5.64 -5.479382119e-02 -5.479382119e-02 5.66 -5.260288719e-02 -5.260288719e-02 5.68 -5.049748689e-02 -5.049748689e-02 5.70 -4.846840386e-02 -4.846840386e-02 5.72 -4.650728273e-02 -4.650728273e-02 5.74 -4.460659331e-02 -4.460659331e-02 5.76 -4.275959827e-02 -4.275959827e-02 5.78 -4.096032566e-02 -4.096032566e-02 5.80 -3.920354821e-02 -3.920354821e-02 5.82 -3.748476758e-02 -3.748476758e-02 5.84 -3.580020445e-02 -3.580020445e-02 5.86 -3.414679313e-02 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