# 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 = Co2PdZr # 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 2.457255773e+02 2.457255773e+02 1.30 2.272837368e+02 2.272837368e+02 1.32 2.102233549e+02 2.102233549e+02 1.34 1.944342523e+02 1.944342523e+02 1.36 1.798159326e+02 1.798159326e+02 1.38 1.662752780e+02 1.662752780e+02 1.40 1.537257709e+02 1.537257709e+02 1.42 1.420879850e+02 1.420879850e+02 1.44 1.312900377e+02 1.312900377e+02 1.46 1.212675631e+02 1.212675631e+02 1.48 1.119630245e+02 1.119630245e+02 1.50 1.033243027e+02 1.033243027e+02 1.52 9.530304197e+01 9.530304197e+01 1.54 8.785363748e+01 8.785363748e+01 1.56 8.093294921e+01 8.093294921e+01 1.58 7.450056643e+01 7.450056643e+01 1.60 6.851916209e+01 6.851916209e+01 1.62 6.295473149e+01 6.295473149e+01 1.64 5.777658415e+01 5.777658415e+01 1.66 5.295708178e+01 5.295708178e+01 1.68 4.847114873e+01 4.847114873e+01 1.70 4.429565396e+01 4.429565396e+01 1.72 4.040891622e+01 4.040891622e+01 1.74 3.679044125e+01 3.679044125e+01 1.76 3.342115309e+01 3.342115309e+01 1.78 3.028353267e+01 3.028353267e+01 1.80 2.736210369e+01 2.736210369e+01 1.82 2.465457492e+01 2.465457492e+01 1.84 2.215007132e+01 2.215007132e+01 1.86 1.983404976e+01 1.983404976e+01 1.88 1.769291580e+01 1.769291580e+01 1.90 1.571399985e+01 1.571399985e+01 1.92 1.388557308e+01 1.388557308e+01 1.94 1.219688550e+01 1.219688550e+01 1.96 1.063809035e+01 1.063809035e+01 1.98 9.200134492e+00 9.200134492e+00 2.00 7.874629480e+00 7.874629480e+00 2.02 6.653733357e+00 6.653733357e+00 2.04 5.530072411e+00 5.530072411e+00 2.06 4.496696539e+00 4.496696539e+00 2.08 3.547056476e+00 3.547056476e+00 2.10 2.674979085e+00 2.674979085e+00 2.12 1.874674666e+00 1.874674666e+00 2.14 1.140744921e+00 1.140744921e+00 2.16 4.682079235e-01 4.682079235e-01 2.18 -1.474961325e-01 -1.474961325e-01 2.20 -7.105161739e-01 -7.105161739e-01 2.22 -1.224637221e+00 -1.224637221e+00 2.24 -1.693328296e+00 -1.693328296e+00 2.26 -2.119781898e+00 -2.119781898e+00 2.28 -2.506939945e+00 -2.506939945e+00 2.30 -2.857507601e+00 -2.857507601e+00 2.32 -3.173985610e+00 -3.173985610e+00 2.34 -3.458679825e+00 -3.458679825e+00 2.36 -3.713746267e+00 -3.713746267e+00 2.38 -3.941218091e+00 -3.941218091e+00 2.40 -4.143031419e+00 -4.143031419e+00 2.42 -4.321050369e+00 -4.321050369e+00 2.44 -4.477079424e+00 -4.477079424e+00 2.46 -4.612884377e+00 -4.612884377e+00 2.48 -4.730247412e+00 -4.730247412e+00 2.50 -4.830758596e+00 -4.830758596e+00 2.52 -4.915905499e+00 -4.915905499e+00 2.54 -4.987085975e+00 -4.987085975e+00 2.56 -5.045585051e+00 -5.045585051e+00 2.58 -5.092565521e+00 -5.092565521e+00 2.60 -5.129069938e+00 -5.129069938e+00 2.62 -5.155959820e+00 -5.155959820e+00 2.64 -5.173851623e+00 -5.173851623e+00 2.66 -5.183289341e+00 -5.183289341e+00 2.68 -5.184786960e+00 -5.184786960e+00 2.70 -5.178830226e+00 -5.178830226e+00 2.72 -5.165935927e+00 -5.165935927e+00 2.74 -5.146568579e+00 -5.146568579e+00 2.76 -5.121103210e+00 -5.121103210e+00 2.78 -5.089954644e+00 -5.089954644e+00 2.80 -5.053819206e+00 -5.053819206e+00 2.82 -5.013011135e+00 -5.013011135e+00 2.84 -4.967762659e+00 -4.967762659e+00 2.86 -4.918330720e+00 -4.918330720e+00 2.88 -4.864993438e+00 -4.864993438e+00 2.90 -4.808032119e+00 -4.808032119e+00 2.92 -4.747670635e+00 -4.747670635e+00 2.94 -4.684138218e+00 -4.684138218e+00 2.96 -4.617711027e+00 -4.617711027e+00 2.98 -4.548712230e+00 -4.548712230e+00 3.00 -4.477466111e+00 -4.477466111e+00 3.02 -4.404288251e+00 -4.404288251e+00 3.04 -4.329477688e+00 -4.329477688e+00 3.06 -4.253322462e+00 -4.253322462e+00 3.08 -4.176078466e+00 -4.176078466e+00 3.10 -4.097978328e+00 -4.097978328e+00 3.12 -4.019225061e+00 -4.019225061e+00 3.14 -3.940002525e+00 -3.940002525e+00 3.16 -3.860464662e+00 -3.860464662e+00 3.18 -3.780750469e+00 -3.780750469e+00 3.20 -3.700986276e+00 -3.700986276e+00 3.22 -3.621290671e+00 -3.621290671e+00 3.24 -3.541779129e+00 -3.541779129e+00 3.26 -3.462568095e+00 -3.462568095e+00 3.28 -3.383777878e+00 -3.383777878e+00 3.30 -3.305533491e+00 -3.305533491e+00 3.32 -3.227962775e+00 -3.227962775e+00 3.34 -3.151191942e+00 -3.151191942e+00 3.36 -3.075339560e+00 -3.075339560e+00 3.38 -3.000510646e+00 -3.000510646e+00 3.40 -2.926791265e+00 -2.926791265e+00 3.42 -2.854251404e+00 -2.854251404e+00 3.44 -2.782938143e+00 -2.782938143e+00 3.46 -2.712883255e+00 -2.712883255e+00 3.48 -2.644104810e+00 -2.644104810e+00 3.50 -2.576610110e+00 -2.576610110e+00 3.52 -2.510398040e+00 -2.510398040e+00 3.54 -2.445460680e+00 -2.445460680e+00 3.56 -2.381784272e+00 -2.381784272e+00 3.58 -2.319349752e+00 -2.319349752e+00 3.60 -2.258133089e+00 -2.258133089e+00 3.62 -2.198105650e+00 -2.198105650e+00 3.64 -2.139234777e+00 -2.139234777e+00 3.66 -2.081484685e+00 -2.081484685e+00 3.68 -2.024817748e+00 -2.024817748e+00 3.70 -1.969196168e+00 -1.969196168e+00 3.72 -1.914583966e+00 -1.914583966e+00 3.74 -1.860949173e+00 -1.860949173e+00 3.76 -1.808266033e+00 -1.808266033e+00 3.78 -1.756516989e+00 -1.756516989e+00 3.80 -1.705694159e+00 -1.705694159e+00 3.82 -1.655800016e+00 -1.655800016e+00 3.84 -1.606847016e+00 -1.606847016e+00 3.86 -1.558856041e+00 -1.558856041e+00 3.88 -1.511853700e+00 -1.511853700e+00 3.90 -1.465868805e+00 -1.465868805e+00 3.92 -1.420927170e+00 -1.420927170e+00 3.94 -1.377053844e+00 -1.377053844e+00 3.96 -1.334261494e+00 -1.334261494e+00 3.98 -1.292555584e+00 -1.292555584e+00 4.00 -1.251932860e+00 -1.251932860e+00 4.02 -1.212382729e+00 -1.212382729e+00 4.04 -1.173889412e+00 -1.173889412e+00 4.06 -1.136434344e+00 -1.136434344e+00 4.08 -1.099998387e+00 -1.099998387e+00 4.10 -1.064559782e+00 -1.064559782e+00 4.12 -1.030110909e+00 -1.030110909e+00 4.14 -9.966338584e-01 -9.966338584e-01 4.16 -9.641177344e-01 -9.641177344e-01 4.18 -9.325534605e-01 -9.325534605e-01 4.20 -9.019330524e-01 -9.019330524e-01 4.22 -8.722488531e-01 -8.722488531e-01 4.24 -8.434928182e-01 -8.434928182e-01 4.26 -8.156558710e-01 -8.156558710e-01 4.28 -7.887273029e-01 -7.887273029e-01 4.30 -7.626941875e-01 -7.626941875e-01 4.32 -7.375408024e-01 -7.375408024e-01 4.34 -7.132480983e-01 -7.132480983e-01 4.36 -6.897932943e-01 -6.897932943e-01 4.38 -6.671496894e-01 -6.671496894e-01 4.40 -6.452867560e-01 -6.452867560e-01 4.42 -6.241705371e-01 -6.241705371e-01 4.44 -6.037643105e-01 -6.037643105e-01 4.46 -5.840294431e-01 -5.840294431e-01 4.48 -5.649263372e-01 -5.649263372e-01 4.50 -5.464153763e-01 -5.464153763e-01 4.52 -5.284577997e-01 -5.284577997e-01 4.54 -5.110164628e-01 -5.110164628e-01 4.56 -4.940564690e-01 -4.940564690e-01 4.58 -4.775456742e-01 -4.775456742e-01 4.60 -4.614550793e-01 -4.614550793e-01 4.62 -4.457591236e-01 -4.457591236e-01 4.64 -4.304358912e-01 -4.304358912e-01 4.66 -4.154672325e-01 -4.154672325e-01 4.68 -4.008388021e-01 -4.008388021e-01 4.70 -3.865400055e-01 -3.865400055e-01 4.72 -3.725638550e-01 -3.725638550e-01 4.74 -3.589067351e-01 -3.589067351e-01 4.76 -3.455680900e-01 -3.455680900e-01 4.78 -3.325500539e-01 -3.325500539e-01 4.80 -3.198539005e-01 -3.198539005e-01 4.82 -3.074927699e-01 -3.074927699e-01 4.84 -2.954706832e-01 -2.954706832e-01 4.86 -2.837965749e-01 -2.837965749e-01 4.88 -2.724801312e-01 -2.724801312e-01 4.90 -2.615314052e-01 -2.615314052e-01 4.92 -2.509603793e-01 -2.509603793e-01 4.94 -2.407764508e-01 -2.407764508e-01 4.96 -2.309878342e-01 -2.309878342e-01 4.98 -2.216009050e-01 -2.216009050e-01 5.00 -2.126195363e-01 -2.126195363e-01 5.02 -2.040445056e-01 -2.040445056e-01 5.04 -1.958730454e-01 -1.958730454e-01 5.06 -1.880986057e-01 -1.880986057e-01 5.08 -1.807107376e-01 -1.807107376e-01 5.10 -1.736955083e-01 -1.736955083e-01 5.12 -1.670361853e-01 -1.670361853e-01 5.14 -1.607135543e-01 -1.607135543e-01 5.16 -1.547066466e-01 -1.547066466e-01 5.18 -1.489934895e-01 -1.489934895e-01 5.20 -1.435518169e-01 -1.435518169e-01 5.22 -1.383596998e-01 -1.383596998e-01 5.24 -1.333960765e-01 -1.333960765e-01 5.26 -1.286411734e-01 -1.286411734e-01 5.28 -1.240768220e-01 -1.240768220e-01 5.30 -1.196866822e-01 -1.196866822e-01 5.32 -1.154563827e-01 -1.154563827e-01 5.34 -1.113735916e-01 -1.113735916e-01 5.36 -1.074280245e-01 -1.074280245e-01 5.38 -1.036113923e-01 -1.036113923e-01 5.40 -9.991729622e-02 -9.991729622e-02 5.42 -9.634106849e-02 -9.634106849e-02 5.44 -9.287955971e-02 -9.287955971e-02 5.46 -8.953087870e-02 -8.953087870e-02 5.48 -8.629409572e-02 -8.629409572e-02 5.50 -8.316892081e-02 -8.316892081e-02 5.52 -8.015537279e-02 -8.015537279e-02 5.54 -7.725346617e-02 -7.725346617e-02 5.56 -7.446293424e-02 -7.446293424e-02 5.58 -7.178300589e-02 -7.178300589e-02 5.60 -6.921220761e-02 -6.921220761e-02 5.62 -6.674831151e-02 -6.674831151e-02 5.64 -6.438841950e-02 -6.438841950e-02 5.66 -6.212888964e-02 -6.212888964e-02 5.68 -5.996542215e-02 -5.996542215e-02 5.70 -5.789317831e-02 -5.789317831e-02 5.72 -5.590691384e-02 -5.590691384e-02 5.74 -5.400111348e-02 -5.400111348e-02 5.76 -5.217011667e-02 -5.217011667e-02 5.78 -5.040822749e-02 -5.040822749e-02 5.80 -4.870980553e-02 -4.870980553e-02 5.82 -4.706933683e-02 -4.706933683e-02 5.84 -4.548148611e-02 -4.548148611e-02 5.86 -4.394113288e-02 -4.394113288e-02 5.88 -4.244339472e-02 -4.244339472e-02 5.90 -4.098364125e-02 -4.098364125e-02 5.92 -3.955750228e-02 -3.955750228e-02 5.94 -3.816087340e-02 -3.816087340e-02 5.96 -3.678992185e-02 -3.678992185e-02 5.98 -3.544109494e-02 -3.544109494e-02 6.00 -3.411113305e-02 -3.411113305e-02